1-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]cyclopropan-1-amine

C16H24N2 — CID 117363380

IUPAC1-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]cyclopropan-1-amine
SMILESCN1CCC(c2ccc(CC3(N)CC3)cc2)CC1
InChIInChI=1S/C16H24N2/c1-18-10-6-15(7-11-18)14-4-2-13(3-5-14)12-16(17)8-9-16/h2-5,15H,6-12,17H2,1H3
InChIKeyKWYMWPRHTDDZMT-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.53
Rot. Bonds3

About 1-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]cyclopropan-1-amine

1-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]cyclopropan-1-amine (PubChem CID 117363380) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]cyclopropan-1-amine
PubChem CID117363380
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]cyclopropan-1-amine
SMILESCN1CCC(c2ccc(CC3(N)CC3)cc2)CC1
InChIInChI=1S/C16H24N2/c1-18-10-6-15(7-11-18)14-4-2-13(3-5-14)12-16(17)8-9-16/h2-5,15H,6-12,17H2,1H3
InChIKeyKWYMWPRHTDDZMT-UHFFFAOYSA-N
XLogP2.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(1-methylpiperidin-4-yl)phenyl]methanol
CID 58229057
[4-(1-methylazepan-4-yl)phenyl]methanamine
CID 83836852
1-[[3-(1-methylpyrrolidin-3-yl)phenyl]methyl]cyclopropan-1-amine
CID 117333062
1-[[4-(3,3-dimethylcyclohexyl)phenyl]methyl]cyclopropan-1-amine
CID 117397294
4-benzyl-1-methylpiperidin-4-amine
CID 39065776
2-methyl-1-[4-(1-methylazepan-4-yl)phenyl]propan-2-amine
CID 117405843
CID 145001791
CID 145001791
1-[[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]cyclopropan-1-amine
CID 117469540
4-[4-(1-methylpiperidin-4-yl)phenyl]butanoic acid
CID 117408104
2-[4-(1-methylpiperidin-4-yl)phenoxy]ethanamine
CID 115040366
3-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]piperidine-2,6-dione
CID 166117430
ethanethiol;1-methyl-4-phenylpiperidine
CID 142821268

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]cyclopropan-1-amine?
The IUPAC name of 1-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]cyclopropan-1-amine (CID 117363380) is 1-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]cyclopropan-1-amine is CN1CCC(c2ccc(CC3(N)CC3)cc2)CC1.
What is the InChIKey of 1-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]cyclopropan-1-amine?
The InChIKey is KWYMWPRHTDDZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-18-10-6-15(7-11-18)14-4-2-13(3-5-14)12-16(17)8-9-16/h2-5,15H,6-12,17H2,1H3.
What are the key properties of 1-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]cyclopropan-1-amine?
1-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]cyclopropan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]cyclopropan-1-amine is sourced from PubChem (CID 117363380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).