3-(2-piperidin-1-ylethylamino)propan-1-ol

C10H22N2O — CID 53211307

IUPAC3-(2-piperidin-1-ylethylamino)propan-1-ol
SMILESOCCCNCCN1CCCCC1
InChIInChI=1S/C10H22N2O/c13-10-4-5-11-6-9-12-7-2-1-3-8-12/h11,13H,1-10H2
InChIKeyKRDRFQIYMMYDLM-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.44
Rot. Bonds6

About 3-(2-piperidin-1-ylethylamino)propan-1-ol

3-(2-piperidin-1-ylethylamino)propan-1-ol (PubChem CID 53211307) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 3-(2-piperidin-1-ylethylamino)propan-1-ol.

Molecular Properties

Compound Name3-(2-piperidin-1-ylethylamino)propan-1-ol
PubChem CID53211307
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name3-(2-piperidin-1-ylethylamino)propan-1-ol
SMILESOCCCNCCN1CCCCC1
InChIInChI=1S/C10H22N2O/c13-10-4-5-11-6-9-12-7-2-1-3-8-12/h11,13H,1-10H2
InChIKeyKRDRFQIYMMYDLM-UHFFFAOYSA-N
XLogP0.44
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.44
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

5-(2-piperidin-1-ylethylamino)pentan-1-ol
CID 62227725
3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethylamino]propan-1-ol
CID 174186305
2-[3-(azepan-1-yl)propylamino]ethanol
CID 53216056
2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 19869583
N'-[2-(azepan-1-yl)ethyl]ethane-1,2-diamine;trihydrochloride
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N-[2-(azepan-1-yl)ethyl]hexan-1-amine
CID 61239608
4-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 142273923
N-(2-pyrrolidin-1-ylethyl)pentan-1-amine
CID 28654194
N-[2-(azepan-1-yl)ethyl]-4-methylpentan-1-amine
CID 62575903
N-(2-bromoethyl)-2-piperidin-1-ylethanamine
CID 46738415
N-(2-iodoethyl)-2-piperidin-1-ylethanamine
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CID 53215657

Frequently Asked Questions

What is the IUPAC name of 3-(2-piperidin-1-ylethylamino)propan-1-ol?
The IUPAC name of 3-(2-piperidin-1-ylethylamino)propan-1-ol (CID 53211307) is 3-(2-piperidin-1-ylethylamino)propan-1-ol.
What is the SMILES notation for 3-(2-piperidin-1-ylethylamino)propan-1-ol?
The canonical SMILES for 3-(2-piperidin-1-ylethylamino)propan-1-ol is OCCCNCCN1CCCCC1.
What is the InChIKey of 3-(2-piperidin-1-ylethylamino)propan-1-ol?
The InChIKey is KRDRFQIYMMYDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c13-10-4-5-11-6-9-12-7-2-1-3-8-12/h11,13H,1-10H2.
What are the key properties of 3-(2-piperidin-1-ylethylamino)propan-1-ol?
3-(2-piperidin-1-ylethylamino)propan-1-ol has a molecular weight of 186.30 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-1-ylethylamino)propan-1-ol is sourced from PubChem (CID 53211307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).