4-[4-(cyclopropylmethylamino)piperidin-1-yl]butan-1-ol

C13H26N2O — CID 115307344

IUPAC4-[4-(cyclopropylmethylamino)piperidin-1-yl]butan-1-ol
SMILESOCCCCN1CCC(NCC2CC2)CC1
InChIInChI=1S/C13H26N2O/c16-10-2-1-7-15-8-5-13(6-9-15)14-11-12-3-4-12/h12-14,16H,1-11H2
InChIKeyNHEJNTNBPGISLG-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.22
Rot. Bonds7

About 4-[4-(cyclopropylmethylamino)piperidin-1-yl]butan-1-ol

4-[4-(cyclopropylmethylamino)piperidin-1-yl]butan-1-ol (PubChem CID 115307344) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-[4-(cyclopropylmethylamino)piperidin-1-yl]butan-1-ol.

Molecular Properties

Compound Name4-[4-(cyclopropylmethylamino)piperidin-1-yl]butan-1-ol
PubChem CID115307344
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name4-[4-(cyclopropylmethylamino)piperidin-1-yl]butan-1-ol
SMILESOCCCCN1CCC(NCC2CC2)CC1
InChIInChI=1S/C13H26N2O/c16-10-2-1-7-15-8-5-13(6-9-15)14-11-12-3-4-12/h12-14,16H,1-11H2
InChIKeyNHEJNTNBPGISLG-UHFFFAOYSA-N
XLogP1.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.22
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-[4-(cyclopropylmethylamino)piperidin-1-yl]pentanenitrile
CID 115307297
1-(2-aminoethyl)-N-(cyclopropylmethyl)piperidin-4-amine
CID 121230314
N-(cyclohexylmethyl)-1-hexylpiperidin-4-amine
CID 91201253
N-(cyclopropylmethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidin-4-amine
CID 103181632
4-[4-[(tert-butylamino)methyl]piperidin-1-yl]butan-1-ol
CID 63848432
N-(cyclopropylmethyl)-1-(3-phenylpropyl)piperidin-4-amine
CID 24731541
6-(4-aminopiperidin-1-yl)hexan-1-ol
CID 70276836
6-[4-(hydroxymethyl)piperidin-1-yl]hexan-1-ol
CID 103737785
N-[[1-[3-(2-methoxyethoxy)propyl]piperidin-4-yl]methyl]cyclopropanamine
CID 103410146
1-butyl-N-(oxan-4-ylmethyl)piperidin-4-amine
CID 62386509
6-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]hexan-1-ol
CID 107707143
N-(cyclopropylmethyl)-1-(2-methylprop-2-enyl)piperidin-4-amine
CID 78946388

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopropylmethylamino)piperidin-1-yl]butan-1-ol?
The IUPAC name of 4-[4-(cyclopropylmethylamino)piperidin-1-yl]butan-1-ol (CID 115307344) is 4-[4-(cyclopropylmethylamino)piperidin-1-yl]butan-1-ol.
What is the SMILES notation for 4-[4-(cyclopropylmethylamino)piperidin-1-yl]butan-1-ol?
The canonical SMILES for 4-[4-(cyclopropylmethylamino)piperidin-1-yl]butan-1-ol is OCCCCN1CCC(NCC2CC2)CC1.
What is the InChIKey of 4-[4-(cyclopropylmethylamino)piperidin-1-yl]butan-1-ol?
The InChIKey is NHEJNTNBPGISLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c16-10-2-1-7-15-8-5-13(6-9-15)14-11-12-3-4-12/h12-14,16H,1-11H2.
What are the key properties of 4-[4-(cyclopropylmethylamino)piperidin-1-yl]butan-1-ol?
4-[4-(cyclopropylmethylamino)piperidin-1-yl]butan-1-ol has a molecular weight of 226.36 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopropylmethylamino)piperidin-1-yl]butan-1-ol is sourced from PubChem (CID 115307344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).