1-[3-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine

C15H22N2 — CID 84793946

IUPAC1-[3-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine
SMILESNC1(c2cccc(CN3CCCCC3)c2)CC1
InChIInChI=1S/C15H22N2/c16-15(7-8-15)14-6-4-5-13(11-14)12-17-9-2-1-3-10-17/h4-6,11H,1-3,7-10,12,16H2
InChIKeyPBRQUWRSVIKGKT-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.62
Rot. Bonds3

About 1-[3-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine

1-[3-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine (PubChem CID 84793946) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-[3-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[3-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine
PubChem CID84793946
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name1-[3-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine
SMILESNC1(c2cccc(CN3CCCCC3)c2)CC1
InChIInChI=1S/C15H22N2/c16-15(7-8-15)14-6-4-5-13(11-14)12-17-9-2-1-3-10-17/h4-6,11H,1-3,7-10,12,16H2
InChIKeyPBRQUWRSVIKGKT-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine
CID 84793947
1-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]cyclopropyl]ethanamine
CID 117363303
1-[3-[(6,6-dioxo-6λ6-thia-3-azabicyclo[3.1.1]heptan-3-yl)methyl]phenyl]cyclopropan-1-amine
CID 84815062
3-(azepan-1-ylmethyl)aniline
CID 6484183
1-[[3-(2-methylpyrrolidin-2-yl)phenyl]methyl]piperidine
CID 117400052
1-[3-chloro-4-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine
CID 117416322
[3-(piperidin-1-ylmethyl)phenyl]methanethiol
CID 57304905
1-benzylazepane
CID 10954328
1-[(3-chlorophenyl)methyl]pyrrolidine
CID 12738005
3-(pyrrolidin-1-ylmethyl)benzenethiol
CID 46785609
1-[3-(2,2,2-trifluoroethyl)phenyl]cyclohexan-1-amine
CID 117396413
3-[3-(pyrrolidin-1-ylmethyl)phenyl]propan-1-amine
CID 117311503

Frequently Asked Questions

What is the IUPAC name of 1-[3-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine?
The IUPAC name of 1-[3-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine (CID 84793946) is 1-[3-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[3-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine?
The canonical SMILES for 1-[3-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine is NC1(c2cccc(CN3CCCCC3)c2)CC1.
What is the InChIKey of 1-[3-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine?
The InChIKey is PBRQUWRSVIKGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c16-15(7-8-15)14-6-4-5-13(11-14)12-17-9-2-1-3-10-17/h4-6,11H,1-3,7-10,12,16H2.
What are the key properties of 1-[3-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine?
1-[3-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine has a molecular weight of 230.35 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine is sourced from PubChem (CID 84793946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).