1-[(4-piperidin-1-ylphenyl)methyl]cyclopropan-1-amine

C15H22N2 — CID 117333067

IUPAC1-[(4-piperidin-1-ylphenyl)methyl]cyclopropan-1-amine
SMILESNC1(Cc2ccc(N3CCCCC3)cc2)CC1
InChIInChI=1S/C15H22N2/c16-15(8-9-15)12-13-4-6-14(7-5-13)17-10-2-1-3-11-17/h4-7H,1-3,8-12,16H2
InChIKeyNHYNHEJHZWEWEL-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.71
Rot. Bonds3

About 1-[(4-piperidin-1-ylphenyl)methyl]cyclopropan-1-amine

1-[(4-piperidin-1-ylphenyl)methyl]cyclopropan-1-amine (PubChem CID 117333067) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-[(4-piperidin-1-ylphenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(4-piperidin-1-ylphenyl)methyl]cyclopropan-1-amine
PubChem CID117333067
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name1-[(4-piperidin-1-ylphenyl)methyl]cyclopropan-1-amine
SMILESNC1(Cc2ccc(N3CCCCC3)cc2)CC1
InChIInChI=1S/C15H22N2/c16-15(8-9-15)12-13-4-6-14(7-5-13)17-10-2-1-3-11-17/h4-7H,1-3,8-12,16H2
InChIKeyNHYNHEJHZWEWEL-UHFFFAOYSA-N
XLogP2.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]cyclopropan-1-amine
CID 117436732
1-[(3-pyrrolidin-1-ylphenyl)methyl]cyclopropan-1-amine
CID 117308512
1-[[4-(2-piperidin-1-ylethyl)phenyl]methyl]cyclopropan-1-amine
CID 117400107
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
4-[4-[(1-aminocyclopropyl)methyl]phenyl]-1-methylpiperazine-2,6-dione
CID 117436103
3-[4-(azepan-1-yl)phenyl]propan-1-amine
CID 28806979
(4-pyrrolidin-1-ylphenyl)methylhydrazine
CID 22728051
[1-(4-pyrrolidin-1-ylphenyl)cyclohexyl]methanamine
CID 117400102
4-(azepan-1-yl)aniline;hydrochloride
CID 6603137
4-(azepan-1-yl)aniline;dihydrochloride
CID 16640674
1-[4-[2-(4-piperidin-1-ylphenyl)ethenyl]phenyl]piperidine
CID 56975979
1-[(4-iodophenyl)methyl]cyclopropan-1-amine
CID 58506888

Frequently Asked Questions

What is the IUPAC name of 1-[(4-piperidin-1-ylphenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(4-piperidin-1-ylphenyl)methyl]cyclopropan-1-amine (CID 117333067) is 1-[(4-piperidin-1-ylphenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(4-piperidin-1-ylphenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(4-piperidin-1-ylphenyl)methyl]cyclopropan-1-amine is NC1(Cc2ccc(N3CCCCC3)cc2)CC1.
What is the InChIKey of 1-[(4-piperidin-1-ylphenyl)methyl]cyclopropan-1-amine?
The InChIKey is NHYNHEJHZWEWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c16-15(8-9-15)12-13-4-6-14(7-5-13)17-10-2-1-3-11-17/h4-7H,1-3,8-12,16H2.
What are the key properties of 1-[(4-piperidin-1-ylphenyl)methyl]cyclopropan-1-amine?
1-[(4-piperidin-1-ylphenyl)methyl]cyclopropan-1-amine has a molecular weight of 230.35 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-piperidin-1-ylphenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117333067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).