N-[3-(cyclopropylmethoxy)propyl]-1-phenylpiperidin-4-amine

C18H28N2O — CID 103776355

IUPACN-[3-(cyclopropylmethoxy)propyl]-1-phenylpiperidin-4-amine
SMILESc1ccc(N2CCC(NCCCOCC3CC3)CC2)cc1
InChIInChI=1S/C18H28N2O/c1-2-5-18(6-3-1)20-12-9-17(10-13-20)19-11-4-14-21-15-16-7-8-16/h1-3,5-6,16-17,19H,4,7-15H2
InChIKeyNTQHKBHXCISTTI-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.06
Rot. Bonds8

About N-[3-(cyclopropylmethoxy)propyl]-1-phenylpiperidin-4-amine

N-[3-(cyclopropylmethoxy)propyl]-1-phenylpiperidin-4-amine (PubChem CID 103776355) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)propyl]-1-phenylpiperidin-4-amine.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)propyl]-1-phenylpiperidin-4-amine
PubChem CID103776355
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC NameN-[3-(cyclopropylmethoxy)propyl]-1-phenylpiperidin-4-amine
SMILESc1ccc(N2CCC(NCCCOCC3CC3)CC2)cc1
InChIInChI=1S/C18H28N2O/c1-2-5-18(6-3-1)20-12-9-17(10-13-20)19-11-4-14-21-15-16-7-8-16/h1-3,5-6,16-17,19H,4,7-15H2
InChIKeyNTQHKBHXCISTTI-UHFFFAOYSA-N
XLogP3.06
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyclopropylpropyl)-1-phenylpiperidin-4-amine
CID 103902375
N-[3-(cyclopropylmethoxy)propyl]-3-phenylcyclobutan-1-amine
CID 43632261
N-[3-(cyclopropylmethoxy)propyl]-1-ethylpiperidin-4-amine
CID 28718720
N-(3-ethoxypropyl)-1-pyridin-4-ylpiperidin-4-amine
CID 43166978
N-(3,3-dimethylbutyl)-1-phenylpiperidin-4-amine
CID 103779062
2,2-dimethyl-4-[(1-phenylpiperidin-4-yl)amino]butanoic acid
CID 122127131
1-cyclopropyl-N-[3-(cyclopropylmethoxy)propyl]pyrrolidin-3-amine
CID 62980928
N-[2-[(1-phenylpiperidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 103775963
1-[3-(cyclopropylmethoxy)propyl]-2-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]guanidine
CID 111393285
N-[3-(cyclopropylmethoxy)propyl]-4-ethylcyclohexan-1-amine
CID 28718710
N-(4-phenylbutyl)-1-(4-phenylmethoxyphenyl)piperidin-4-amine
CID 21260549
1-phenyl-N-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 103775425

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-1-phenylpiperidin-4-amine?
The IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-1-phenylpiperidin-4-amine (CID 103776355) is N-[3-(cyclopropylmethoxy)propyl]-1-phenylpiperidin-4-amine.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)propyl]-1-phenylpiperidin-4-amine?
The canonical SMILES for N-[3-(cyclopropylmethoxy)propyl]-1-phenylpiperidin-4-amine is c1ccc(N2CCC(NCCCOCC3CC3)CC2)cc1.
What is the InChIKey of N-[3-(cyclopropylmethoxy)propyl]-1-phenylpiperidin-4-amine?
The InChIKey is NTQHKBHXCISTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-5-18(6-3-1)20-12-9-17(10-13-20)19-11-4-14-21-15-16-7-8-16/h1-3,5-6,16-17,19H,4,7-15H2.
What are the key properties of N-[3-(cyclopropylmethoxy)propyl]-1-phenylpiperidin-4-amine?
N-[3-(cyclopropylmethoxy)propyl]-1-phenylpiperidin-4-amine has a molecular weight of 288.43 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)propyl]-1-phenylpiperidin-4-amine is sourced from PubChem (CID 103776355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).