1-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidin-2-one;4-propan-2-ylpiperidine;4-propan-2-ylpiperidin-2-one

C34H68N4O2 — CID 157317543

IUPAC1-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidin-2-one;4-propan-2-ylpiperidine;4-propan-2-ylpiperidin-2-one
SMILESCC(C)C1CCN(C)C(=O)C1.CC(C)C1CCN(C)CC1.CC(C)C1CCNC(=O)C1.CC(C)C1CCNCC1
InChIInChI=1S/C9H17NO.C9H19N.C8H15NO.C8H17N/c1-7(2)8-4-5-10(3)9(11)6-8;1-8(2)9-4-6-10(3)7-5-9;1-6(2)7-3-4-9-8(10)5-7;1-7(2)8-3-5-9-6-4-8/h7-8H,4-6H2,1-3H3;8-9H,4-7H2,1-3H3;6-7H,3-5H2,1-2H3,(H,9,10);7-9H,3-6H2,1-2H3
InChIKeyBDTZVOMMDKDAEY-UHFFFAOYSA-N
MW564.94 g/mol
LogP6.31
Rot. Bonds4

About 1-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidin-2-one;4-propan-2-ylpiperidine;4-propan-2-ylpiperidin-2-one

1-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidin-2-one;4-propan-2-ylpiperidine;4-propan-2-ylpiperidin-2-one (PubChem CID 157317543) has the molecular formula C34H68N4O2 and a molecular weight of 564.94 g/mol. Its IUPAC name is 1-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidin-2-one;4-propan-2-ylpiperidine;4-propan-2-ylpiperidin-2-one.

Molecular Properties

Compound Name1-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidin-2-one;4-propan-2-ylpiperidine;4-propan-2-ylpiperidin-2-one
PubChem CID157317543
Molecular FormulaC34H68N4O2
Molecular Weight564.94 g/mol
Exact Mass564.53
IUPAC Name1-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidin-2-one;4-propan-2-ylpiperidine;4-propan-2-ylpiperidin-2-one
SMILESCC(C)C1CCN(C)C(=O)C1.CC(C)C1CCN(C)CC1.CC(C)C1CCNC(=O)C1.CC(C)C1CCNCC1
InChIInChI=1S/C9H17NO.C9H19N.C8H15NO.C8H17N/c1-7(2)8-4-5-10(3)9(11)6-8;1-8(2)9-4-6-10(3)7-5-9;1-6(2)7-3-4-9-8(10)5-7;1-7(2)8-3-5-9-6-4-8/h7-8H,4-6H2,1-3H3;8-9H,4-7H2,1-3H3;6-7H,3-5H2,1-2H3,(H,9,10);7-9H,3-6H2,1-2H3
InChIKeyBDTZVOMMDKDAEY-UHFFFAOYSA-N
XLogP6.31
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.94
LogP ≤ 56.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidin-2-one;4-propan-2-ylpiperidine;4-propan-2-ylpiperidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

[4-[1-(1-Decylpiperidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(1-decylpiperidin-3-yl)methanone
CID 10372300
N-(3-{[1,4'-Bipiperidin]-1'-YL}propyl)-1-[(4-methylpiperidin-1-YL)sulfonyl]piperidine-3-carboxamide
CID 46276243
1-Azabicyclo[2.2.2]octan-3-yl(piperazin-1-yl)methanone
CID 82509628
(3S)-1-[(3R)-1-acetylpiperidine-3-carbonyl]-N-methylpiperidine-3-carboxamide;(3S)-N-methyl-1-[(3R)-1-methylpiperidine-3-carbonyl]piperidine-3-carboxamide
CID 91373160
3,3-Dimethyl-1-[4-[3-[1-[3-[4-(3-piperidin-4-ylpropyl)piperidin-1-yl]propanoyl]piperidin-4-yl]propyl]piperidin-1-yl]butan-1-one
CID 132059289
3,3-Dimethyl-1-[4-[3-[1-[3-(4-piperidin-4-ylpiperidin-1-yl)propanoyl]piperidin-4-yl]propyl]piperidin-1-yl]butan-1-one
CID 132059291
4-methyl-N-[[1-[2-methyl-6-(4-piperidin-4-ylpiperidin-1-yl)hexan-2-yl]piperidin-4-yl]methyl]pentanamide
CID 132059409
N-methyl-N-[1-[2-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]ethyl]piperidin-4-yl]-2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]acetamide
CID 134582812
N-methyl-N-[[1-[2-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]ethyl]piperidin-4-yl]methyl]-2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]acetamide
CID 134583082
N-methyl-2-[1-[2-[4-[[methyl-[2-[4-[2-(4-methylpiperidin-1-yl)ethyl]piperazin-1-yl]acetyl]amino]methyl]piperidin-1-yl]ethyl]piperidin-4-yl]acetamide
CID 135174564
N-[6-[[2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]amino]hexyl]-2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 140365599
9-(1-Acetyl-4-methylpiperidin-4-yl)-5-methyl-3-(piperidin-4-ylmethyl)-3,9-diazaspiro[5.5]undecan-4-one
CID 143778820

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidin-2-one;4-propan-2-ylpiperidine;4-propan-2-ylpiperidin-2-one?
The IUPAC name of 1-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidin-2-one;4-propan-2-ylpiperidine;4-propan-2-ylpiperidin-2-one (CID 157317543) is 1-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidin-2-one;4-propan-2-ylpiperidine;4-propan-2-ylpiperidin-2-one.
What is the SMILES notation for 1-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidin-2-one;4-propan-2-ylpiperidine;4-propan-2-ylpiperidin-2-one?
The canonical SMILES for 1-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidin-2-one;4-propan-2-ylpiperidine;4-propan-2-ylpiperidin-2-one is CC(C)C1CCN(C)C(=O)C1.CC(C)C1CCN(C)CC1.CC(C)C1CCNC(=O)C1.CC(C)C1CCNCC1.
What is the InChIKey of 1-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidin-2-one;4-propan-2-ylpiperidine;4-propan-2-ylpiperidin-2-one?
The InChIKey is BDTZVOMMDKDAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C9H19N.C8H15NO.C8H17N/c1-7(2)8-4-5-10(3)9(11)6-8;1-8(2)9-4-6-10(3)7-5-9;1-6(2)7-3-4-9-8(10)5-7;1-7(2)8-3-5-9-6-4-8/h7-8H,4-6H2,1-3H3;8-9H,4-7H2,1-3H3;6-7H,3-5H2,1-2H3,(H,9,10);7-9H,3-6H2,1-2H3.
What are the key properties of 1-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidin-2-one;4-propan-2-ylpiperidine;4-propan-2-ylpiperidin-2-one?
1-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidin-2-one;4-propan-2-ylpiperidine;4-propan-2-ylpiperidin-2-one has a molecular weight of 564.94 g/mol, XLogP of 6.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidin-2-one;4-propan-2-ylpiperidine;4-propan-2-ylpiperidin-2-one is sourced from PubChem (CID 157317543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).