N-[[1-(3-phenoxypropyl)piperidin-2-yl]methyl]cyclopropanamine

C18H28N2O — CID 62937477

IUPACN-[[1-(3-phenoxypropyl)piperidin-2-yl]methyl]cyclopropanamine
SMILESc1ccc(OCCCN2CCCCC2CNC2CC2)cc1
InChIInChI=1S/C18H28N2O/c1-2-8-18(9-3-1)21-14-6-13-20-12-5-4-7-17(20)15-19-16-10-11-16/h1-3,8-9,16-17,19H,4-7,10-15H2
InChIKeyUVVAVUINXVHHLV-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.06
Rot. Bonds8

About N-[[1-(3-phenoxypropyl)piperidin-2-yl]methyl]cyclopropanamine

N-[[1-(3-phenoxypropyl)piperidin-2-yl]methyl]cyclopropanamine (PubChem CID 62937477) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is N-[[1-(3-phenoxypropyl)piperidin-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(3-phenoxypropyl)piperidin-2-yl]methyl]cyclopropanamine
PubChem CID62937477
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC NameN-[[1-(3-phenoxypropyl)piperidin-2-yl]methyl]cyclopropanamine
SMILESc1ccc(OCCCN2CCCCC2CNC2CC2)cc1
InChIInChI=1S/C18H28N2O/c1-2-8-18(9-3-1)21-14-6-13-20-12-5-4-7-17(20)15-19-16-10-11-16/h1-3,8-9,16-17,19H,4-7,10-15H2
InChIKeyUVVAVUINXVHHLV-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-[[1-[2-(4-bromophenoxy)ethyl]piperidin-2-yl]methyl]cyclopropanamine
CID 62580767
2-(2-bromoethyl)-1-(3-phenoxypropyl)piperidine
CID 80671046
2-methyl-N-[[1-(2-phenoxyethyl)piperidin-2-yl]methyl]propan-2-amine
CID 62580601
N-methyl-1-[1-[3-(3-methylphenoxy)propyl]piperidin-2-yl]methanamine
CID 63250259
(2S)-2-(methoxymethyl)-1-(3-phenoxypropyl)pyrrolidine
CID 141200367
N-[[1-(2-phenylsulfanylethyl)pyrrolidin-2-yl]methyl]cyclopropanamine
CID 79222597
N-methyl-1-[1-(2-phenoxyethyl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 119928558
1-(3-phenoxypropyl)piperidine-2-carbaldehyde
CID 62655361
[(2S)-1-(11-phenoxyundecyl)pyrrolidin-2-yl]methanol
CID 14517943
methane;2-methyl-1-(5-phenoxypentyl)piperidine
CID 158922703
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
N-[[1-(2-phenoxyethyl)piperidin-3-yl]methyl]cyclopropanamine
CID 62580428

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-phenoxypropyl)piperidin-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(3-phenoxypropyl)piperidin-2-yl]methyl]cyclopropanamine (CID 62937477) is N-[[1-(3-phenoxypropyl)piperidin-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(3-phenoxypropyl)piperidin-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(3-phenoxypropyl)piperidin-2-yl]methyl]cyclopropanamine is c1ccc(OCCCN2CCCCC2CNC2CC2)cc1.
What is the InChIKey of N-[[1-(3-phenoxypropyl)piperidin-2-yl]methyl]cyclopropanamine?
The InChIKey is UVVAVUINXVHHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-8-18(9-3-1)21-14-6-13-20-12-5-4-7-17(20)15-19-16-10-11-16/h1-3,8-9,16-17,19H,4-7,10-15H2.
What are the key properties of N-[[1-(3-phenoxypropyl)piperidin-2-yl]methyl]cyclopropanamine?
N-[[1-(3-phenoxypropyl)piperidin-2-yl]methyl]cyclopropanamine 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-[[1-(3-phenoxypropyl)piperidin-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62937477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).