6-[cyclopropyl(piperidin-3-ylmethyl)amino]hexan-1-ol

C15H30N2O — CID 107705718

IUPAC6-[cyclopropyl(piperidin-3-ylmethyl)amino]hexan-1-ol
SMILESOCCCCCCN(CC1CCCNC1)C1CC1
InChIInChI=1S/C15H30N2O/c18-11-4-2-1-3-10-17(15-7-8-15)13-14-6-5-9-16-12-14/h14-16,18H,1-13H2
InChIKeyZEDVIRGZFYITOB-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.00
Rot. Bonds9

About 6-[cyclopropyl(piperidin-3-ylmethyl)amino]hexan-1-ol

6-[cyclopropyl(piperidin-3-ylmethyl)amino]hexan-1-ol (PubChem CID 107705718) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 6-[cyclopropyl(piperidin-3-ylmethyl)amino]hexan-1-ol.

Molecular Properties

Compound Name6-[cyclopropyl(piperidin-3-ylmethyl)amino]hexan-1-ol
PubChem CID107705718
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name6-[cyclopropyl(piperidin-3-ylmethyl)amino]hexan-1-ol
SMILESOCCCCCCN(CC1CCCNC1)C1CC1
InChIInChI=1S/C15H30N2O/c18-11-4-2-1-3-10-17(15-7-8-15)13-14-6-5-9-16-12-14/h14-16,18H,1-13H2
InChIKeyZEDVIRGZFYITOB-UHFFFAOYSA-N
XLogP2.00
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.00
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-hexyl-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624769
5-[cyclopropyl(piperidin-4-ylmethyl)amino]pentan-1-ol
CID 79714169
4-[cyclopropyl(piperidin-3-ylmethyl)amino]-2-methylbutan-2-ol
CID 106640266
N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106625038
N-(2-methylsulfanylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106639574
N-(2-ethylsulfonylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106640099
N-(2-ethoxyethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106639978
3-[cyclopropyl(piperidin-3-ylmethyl)amino]-N-methylpropanamide
CID 106639726
2-[cyclopropyl(piperidin-3-ylmethyl)amino]-N,N-dimethylacetamide
CID 106639825
3-[piperidin-3-ylmethyl(propyl)amino]propan-1-ol
CID 106640793
N-(piperidin-3-ylmethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropanamine
CID 106640104
piperidin-3-ylmethanol
CID 161361606

Frequently Asked Questions

What is the IUPAC name of 6-[cyclopropyl(piperidin-3-ylmethyl)amino]hexan-1-ol?
The IUPAC name of 6-[cyclopropyl(piperidin-3-ylmethyl)amino]hexan-1-ol (CID 107705718) is 6-[cyclopropyl(piperidin-3-ylmethyl)amino]hexan-1-ol.
What is the SMILES notation for 6-[cyclopropyl(piperidin-3-ylmethyl)amino]hexan-1-ol?
The canonical SMILES for 6-[cyclopropyl(piperidin-3-ylmethyl)amino]hexan-1-ol is OCCCCCCN(CC1CCCNC1)C1CC1.
What is the InChIKey of 6-[cyclopropyl(piperidin-3-ylmethyl)amino]hexan-1-ol?
The InChIKey is ZEDVIRGZFYITOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c18-11-4-2-1-3-10-17(15-7-8-15)13-14-6-5-9-16-12-14/h14-16,18H,1-13H2.
What are the key properties of 6-[cyclopropyl(piperidin-3-ylmethyl)amino]hexan-1-ol?
6-[cyclopropyl(piperidin-3-ylmethyl)amino]hexan-1-ol has a molecular weight of 254.42 g/mol, XLogP of 2.00, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopropyl(piperidin-3-ylmethyl)amino]hexan-1-ol is sourced from PubChem (CID 107705718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).