1-methyl-4-propan-2-ylpiperidine;pentane

C14H31N — CID 163403210

IUPAC1-methyl-4-propan-2-ylpiperidine;pentane
SMILESCC(C)C1CCN(C)CC1.CCCCC
InChIInChI=1S/C9H19N.C5H12/c1-8(2)9-4-6-10(3)7-5-9;1-3-5-4-2/h8-9H,4-7H2,1-3H3;3-5H2,1-2H3
InChIKeyLJXSWCWMWLAPHY-UHFFFAOYSA-N
MW213.41 g/mol
LogP4.18
Rot. Bonds3

About 1-methyl-4-propan-2-ylpiperidine;pentane

1-methyl-4-propan-2-ylpiperidine;pentane (PubChem CID 163403210) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is 1-methyl-4-propan-2-ylpiperidine;pentane.

Molecular Properties

Compound Name1-methyl-4-propan-2-ylpiperidine;pentane
PubChem CID163403210
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC Name1-methyl-4-propan-2-ylpiperidine;pentane
SMILESCC(C)C1CCN(C)CC1.CCCCC
InChIInChI=1S/C9H19N.C5H12/c1-8(2)9-4-6-10(3)7-5-9;1-3-5-4-2/h8-9H,4-7H2,1-3H3;3-5H2,1-2H3
InChIKeyLJXSWCWMWLAPHY-UHFFFAOYSA-N
XLogP4.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-decyl-4-propan-2-ylpiperidine
CID 166461232
1-methyl-3-propan-2-ylpyrrolidine
CID 21355395
1-methyl-4-[5-(4-propan-2-ylpiperidin-1-yl)pentyl]piperazine
CID 163269266
ethane;(3R)-1-methyl-3-propan-2-ylpyrrolidine
CID 176952918
N-[1-(1-methylpiperidin-4-yl)ethyl]hexan-2-amine
CID 62196752
1-methyl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]piperidine
CID 178033502
(1S)-1-(1-methylpiperidin-4-yl)ethane-1,2-diol
CID 143640316
1-hexan-2-yl-4-propan-2-ylpiperidine
CID 67564256
1-(1-methylpiperidin-4-yl)ethoxy-dioctylalumane
CID 139905093
1-methyl-4-[1-(1-methylpiperidin-4-yl)propyl]piperidine
CID 20500744
1-methyl-3-tridecan-7-ylpyrrolidine
CID 129157230
1-methyl-3-tetradecan-7-ylpyrrolidine
CID 166688622

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propan-2-ylpiperidine;pentane?
The IUPAC name of 1-methyl-4-propan-2-ylpiperidine;pentane (CID 163403210) is 1-methyl-4-propan-2-ylpiperidine;pentane.
What is the SMILES notation for 1-methyl-4-propan-2-ylpiperidine;pentane?
The canonical SMILES for 1-methyl-4-propan-2-ylpiperidine;pentane is CC(C)C1CCN(C)CC1.CCCCC.
What is the InChIKey of 1-methyl-4-propan-2-ylpiperidine;pentane?
The InChIKey is LJXSWCWMWLAPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C5H12/c1-8(2)9-4-6-10(3)7-5-9;1-3-5-4-2/h8-9H,4-7H2,1-3H3;3-5H2,1-2H3.
What are the key properties of 1-methyl-4-propan-2-ylpiperidine;pentane?
1-methyl-4-propan-2-ylpiperidine;pentane has a molecular weight of 213.41 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propan-2-ylpiperidine;pentane is sourced from PubChem (CID 163403210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).