propan-2-ylcyclopentane;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine

C23H49N3 — CID 167698824

IUPACpropan-2-ylcyclopentane;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine
SMILESCC(C)C1CCCC1.CC(C)C1CCNCC1.CC(C)N1CCNCC1
InChIInChI=1S/C8H17N.C8H16.C7H16N2/c1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;1-7(2)9-5-3-8-4-6-9/h7-9H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3
InChIKeyYBIOXIADSHWNTK-UHFFFAOYSA-N
MW367.67 g/mol
LogP4.77
Rot. Bonds3

About propan-2-ylcyclopentane;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine

propan-2-ylcyclopentane;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine (PubChem CID 167698824) has the molecular formula C23H49N3 and a molecular weight of 367.67 g/mol. Its IUPAC name is propan-2-ylcyclopentane;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine.

Molecular Properties

Compound Namepropan-2-ylcyclopentane;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine
PubChem CID167698824
Molecular FormulaC23H49N3
Molecular Weight367.67 g/mol
Exact Mass367.39
IUPAC Namepropan-2-ylcyclopentane;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine
SMILESCC(C)C1CCCC1.CC(C)C1CCNCC1.CC(C)N1CCNCC1
InChIInChI=1S/C8H17N.C8H16.C7H16N2/c1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;1-7(2)9-5-3-8-4-6-9/h7-9H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3
InChIKeyYBIOXIADSHWNTK-UHFFFAOYSA-N
XLogP4.77
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.67
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-((R)-4-(3-cyclohexylpropyl)-3-isopropylpiperazin-1-yl)-N,3-dimethylpentan-1-amine
CID 45482257
4,4'-Dimethyl-2,2'-bipiperidine (mixture of isomers)
CID 5232996
5,5'-Dimethyl-2,2'-bipiperidine (mixture of isomers)
CID 59063337
1-Heptyl-4-piperidin-4-ylpiperidine
CID 44592883
1-Nonyl-4-piperidin-4-ylpiperidine
CID 44592884
2-[4-(1-Pentadecylpiperidin-4-yl)piperidin-1-yl]ethanamine
CID 44592904
1-cyclohexyl-N-(2-piperidin-1-ylethyl)pentan-2-amine
CID 172451235
1-[(3S)-piperidin-3-yl]-N-[(1-piperidin-1-ylcyclopentyl)methyl]methanamine
CID 171359791
4-(2-Fluoropiperidin-3-yl)-1-methylpiperidin-3-amine
CID 129133407
4-(6-Fluoro-2-methylpiperidin-3-yl)-1-methylpiperidin-3-amine
CID 129134553
4-(6-Fluoro-2-methylpiperidin-3-yl)piperidin-3-amine
CID 130280142
(10R,14S)-4-fluoro-10-methyl-5,8,16-triazatricyclo[13.3.1.02,7]nonadecan-14-amine
CID 141456619

Frequently Asked Questions

What is the IUPAC name of propan-2-ylcyclopentane;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine?
The IUPAC name of propan-2-ylcyclopentane;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine (CID 167698824) is propan-2-ylcyclopentane;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine.
What is the SMILES notation for propan-2-ylcyclopentane;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine?
The canonical SMILES for propan-2-ylcyclopentane;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine is CC(C)C1CCCC1.CC(C)C1CCNCC1.CC(C)N1CCNCC1.
What is the InChIKey of propan-2-ylcyclopentane;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine?
The InChIKey is YBIOXIADSHWNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C8H16.C7H16N2/c1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;1-7(2)9-5-3-8-4-6-9/h7-9H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3.
What are the key properties of propan-2-ylcyclopentane;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine?
propan-2-ylcyclopentane;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine has a molecular weight of 367.67 g/mol, XLogP of 4.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-ylcyclopentane;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine is sourced from PubChem (CID 167698824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).