N-[(2-phenylcyclopropyl)methyl]-3-piperidin-1-ylpropan-1-amine

C18H28N2 — CID 115875952

IUPACN-[(2-phenylcyclopropyl)methyl]-3-piperidin-1-ylpropan-1-amine
SMILESc1ccc(C2CC2CNCCCN2CCCCC2)cc1
InChIInChI=1S/C18H28N2/c1-3-8-16(9-4-1)18-14-17(18)15-19-10-7-13-20-11-5-2-6-12-20/h1,3-4,8-9,17-19H,2,5-7,10-15H2
InChIKeyKWXXNSASFZIWOX-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.26
Rot. Bonds7

About N-[(2-phenylcyclopropyl)methyl]-3-piperidin-1-ylpropan-1-amine

N-[(2-phenylcyclopropyl)methyl]-3-piperidin-1-ylpropan-1-amine (PubChem CID 115875952) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-[(2-phenylcyclopropyl)methyl]-3-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-phenylcyclopropyl)methyl]-3-piperidin-1-ylpropan-1-amine
PubChem CID115875952
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-[(2-phenylcyclopropyl)methyl]-3-piperidin-1-ylpropan-1-amine
SMILESc1ccc(C2CC2CNCCCN2CCCCC2)cc1
InChIInChI=1S/C18H28N2/c1-3-8-16(9-4-1)18-14-17(18)15-19-10-7-13-20-11-5-2-6-12-20/h1,3-4,8-9,17-19H,2,5-7,10-15H2
InChIKeyKWXXNSASFZIWOX-UHFFFAOYSA-N
XLogP3.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[(1R,2R)-2-phenylcyclopropyl]methyl]pentan-1-amine
CID 124705421
N-(2,3-dihydro-1H-inden-2-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 106892883
N-benzyl-6-piperidin-1-ylhexan-1-amine
CID 54404338
3-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine
CID 28658239
1-[3-(azepan-1-yl)propyl]-2-methyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide
CID 111325579
3-[(2-phenylcyclopropyl)methylamino]propanamide
CID 115919599
N-[(3-cyclopropylphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 79979264
3-piperidin-1-yl-N-(pyridin-2-ylmethyl)propan-1-amine
CID 28657609
N-(2-phenylsulfanylethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 54961115
N-[2-(azepan-1-yl)ethyl]-3-phenylcyclobutan-1-amine
CID 61240000
N-(1-benzofuran-2-ylmethyl)-3-piperidin-1-ylpropan-1-amine
CID 28657641
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 79226994

Frequently Asked Questions

What is the IUPAC name of N-[(2-phenylcyclopropyl)methyl]-3-piperidin-1-ylpropan-1-amine?
The IUPAC name of N-[(2-phenylcyclopropyl)methyl]-3-piperidin-1-ylpropan-1-amine (CID 115875952) is N-[(2-phenylcyclopropyl)methyl]-3-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[(2-phenylcyclopropyl)methyl]-3-piperidin-1-ylpropan-1-amine?
The canonical SMILES for N-[(2-phenylcyclopropyl)methyl]-3-piperidin-1-ylpropan-1-amine is c1ccc(C2CC2CNCCCN2CCCCC2)cc1.
What is the InChIKey of N-[(2-phenylcyclopropyl)methyl]-3-piperidin-1-ylpropan-1-amine?
The InChIKey is KWXXNSASFZIWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-3-8-16(9-4-1)18-14-17(18)15-19-10-7-13-20-11-5-2-6-12-20/h1,3-4,8-9,17-19H,2,5-7,10-15H2.
What are the key properties of N-[(2-phenylcyclopropyl)methyl]-3-piperidin-1-ylpropan-1-amine?
N-[(2-phenylcyclopropyl)methyl]-3-piperidin-1-ylpropan-1-amine has a molecular weight of 272.44 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenylcyclopropyl)methyl]-3-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 115875952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).