1-[4-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine

C15H22N2 — CID 84793947

IUPAC1-[4-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine
SMILESNC1(c2ccc(CN3CCCCC3)cc2)CC1
InChIInChI=1S/C15H22N2/c16-15(8-9-15)14-6-4-13(5-7-14)12-17-10-2-1-3-11-17/h4-7H,1-3,8-12,16H2
InChIKeyVDXYKNDJZJPSEJ-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.62
Rot. Bonds3

About 1-[4-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine

1-[4-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine (PubChem CID 84793947) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-[4-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[4-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine
PubChem CID84793947
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name1-[4-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine
SMILESNC1(c2ccc(CN3CCCCC3)cc2)CC1
InChIInChI=1S/C15H22N2/c16-15(8-9-15)14-6-4-13(5-7-14)12-17-10-2-1-3-11-17/h4-7H,1-3,8-12,16H2
InChIKeyVDXYKNDJZJPSEJ-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-[3-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine
CID 84793946
1-[4-(2-piperidin-1-ylethyl)phenyl]cyclobutan-1-amine
CID 117400009
1-[3-chloro-4-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine
CID 117416322
4-(azacyclododec-1-ylmethyl)aniline
CID 70405299
1-benzyl-4-(4-bromophenyl)piperidin-4-amine
CID 72698436
1-[4-(piperidin-1-ylmethyl)phenyl]cyclohexane-1-carboxylic acid
CID 117485692
4-(piperidin-1-ylmethyl)benzenethiol
CID 46785612
1-[(4-methylphenyl)methyl]azepane
CID 3951815
[4-(piperidin-1-ylmethyl)phenyl]methylhydrazine
CID 53275153
1-amino-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119835798
1-benzylazepane
CID 10954328
sodium [4-(piperidin-1-ylmethyl)phenyl]methanolate
CID 86608799

Frequently Asked Questions

What is the IUPAC name of 1-[4-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine?
The IUPAC name of 1-[4-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine (CID 84793947) is 1-[4-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[4-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine?
The canonical SMILES for 1-[4-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine is NC1(c2ccc(CN3CCCCC3)cc2)CC1.
What is the InChIKey of 1-[4-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine?
The InChIKey is VDXYKNDJZJPSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c16-15(8-9-15)14-6-4-13(5-7-14)12-17-10-2-1-3-11-17/h4-7H,1-3,8-12,16H2.
What are the key properties of 1-[4-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine?
1-[4-(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-[4-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine is sourced from PubChem (CID 84793947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).