2-[1-[[1-(propylaminomethyl)cyclopentyl]methyl]piperidin-2-yl]ethanol

C17H34N2O — CID 62261936

IUPAC2-[1-[[1-(propylaminomethyl)cyclopentyl]methyl]piperidin-2-yl]ethanol
SMILESCCCNCC1(CN2CCCCC2CCO)CCCC1
InChIInChI=1S/C17H34N2O/c1-2-11-18-14-17(9-4-5-10-17)15-19-12-6-3-7-16(19)8-13-20/h16,18,20H,2-15H2,1H3
InChIKeyYXBOTOIZXUUGAH-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.78
Rot. Bonds8

About 2-[1-[[1-(propylaminomethyl)cyclopentyl]methyl]piperidin-2-yl]ethanol

2-[1-[[1-(propylaminomethyl)cyclopentyl]methyl]piperidin-2-yl]ethanol (PubChem CID 62261936) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-[1-[[1-(propylaminomethyl)cyclopentyl]methyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[[1-(propylaminomethyl)cyclopentyl]methyl]piperidin-2-yl]ethanol
PubChem CID62261936
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name2-[1-[[1-(propylaminomethyl)cyclopentyl]methyl]piperidin-2-yl]ethanol
SMILESCCCNCC1(CN2CCCCC2CCO)CCCC1
InChIInChI=1S/C17H34N2O/c1-2-11-18-14-17(9-4-5-10-17)15-19-12-6-3-7-16(19)8-13-20/h16,18,20H,2-15H2,1H3
InChIKeyYXBOTOIZXUUGAH-UHFFFAOYSA-N
XLogP2.78
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]cyclohexyl]methyl]propan-1-amine
CID 62888333
2-[1-[2-(propylamino)ethyl]piperidin-2-yl]ethanol
CID 53211565
2-[1-[[1-(bromomethyl)cyclobutyl]methyl]piperidin-2-yl]ethanol
CID 65009301
1-[[1-(bromomethyl)cyclobutyl]methyl]-2-propylpiperidine
CID 83062041
2-[(2S)-1-ethylpiperidin-2-yl]ethanol
CID 26365884
N-[[3-[(2-ethylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]propan-1-amine
CID 55242233
2-[1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]piperidin-2-yl]ethanol
CID 62390771
[1-[[1-[(cyclopropylamino)methyl]cyclopentyl]methyl]piperidin-2-yl]methanol
CID 62259143
N-[[1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)cyclopentyl]methyl]propan-1-amine
CID 62259362
[4-[(2-propylpiperidin-1-yl)methyl]oxan-4-yl]methanol
CID 83062160
N-[[3-[(2-methylpiperidin-1-yl)methyl]oxan-3-yl]methyl]propan-1-amine
CID 63741518
3-[1-[[4-(ethylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]propan-1-ol
CID 62479395

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-(propylaminomethyl)cyclopentyl]methyl]piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-[[1-(propylaminomethyl)cyclopentyl]methyl]piperidin-2-yl]ethanol (CID 62261936) is 2-[1-[[1-(propylaminomethyl)cyclopentyl]methyl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[[1-(propylaminomethyl)cyclopentyl]methyl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[[1-(propylaminomethyl)cyclopentyl]methyl]piperidin-2-yl]ethanol is CCCNCC1(CN2CCCCC2CCO)CCCC1.
What is the InChIKey of 2-[1-[[1-(propylaminomethyl)cyclopentyl]methyl]piperidin-2-yl]ethanol?
The InChIKey is YXBOTOIZXUUGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-2-11-18-14-17(9-4-5-10-17)15-19-12-6-3-7-16(19)8-13-20/h16,18,20H,2-15H2,1H3.
What are the key properties of 2-[1-[[1-(propylaminomethyl)cyclopentyl]methyl]piperidin-2-yl]ethanol?
2-[1-[[1-(propylaminomethyl)cyclopentyl]methyl]piperidin-2-yl]ethanol has a molecular weight of 282.47 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-(propylaminomethyl)cyclopentyl]methyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 62261936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).