1-[[4-(2-piperidin-1-ylethyl)phenyl]methyl]cyclopropan-1-amine

C17H26N2 — CID 117400107

IUPAC1-[[4-(2-piperidin-1-ylethyl)phenyl]methyl]cyclopropan-1-amine
SMILESNC1(Cc2ccc(CCN3CCCCC3)cc2)CC1
InChIInChI=1S/C17H26N2/c18-17(9-10-17)14-16-6-4-15(5-7-16)8-13-19-11-2-1-3-12-19/h4-7H,1-3,8-14,18H2
InChIKeyJILMSCHORJXNBA-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.75
Rot. Bonds5

About 1-[[4-(2-piperidin-1-ylethyl)phenyl]methyl]cyclopropan-1-amine

1-[[4-(2-piperidin-1-ylethyl)phenyl]methyl]cyclopropan-1-amine (PubChem CID 117400107) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-[[4-(2-piperidin-1-ylethyl)phenyl]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[[4-(2-piperidin-1-ylethyl)phenyl]methyl]cyclopropan-1-amine
PubChem CID117400107
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-[[4-(2-piperidin-1-ylethyl)phenyl]methyl]cyclopropan-1-amine
SMILESNC1(Cc2ccc(CCN3CCCCC3)cc2)CC1
InChIInChI=1S/C17H26N2/c18-17(9-10-17)14-16-6-4-15(5-7-16)8-13-19-11-2-1-3-12-19/h4-7H,1-3,8-14,18H2
InChIKeyJILMSCHORJXNBA-UHFFFAOYSA-N
XLogP2.75
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-piperidin-1-ylethyl)phenyl]methyl]cyclopropan-1-amine?
The IUPAC name of 1-[[4-(2-piperidin-1-ylethyl)phenyl]methyl]cyclopropan-1-amine (CID 117400107) is 1-[[4-(2-piperidin-1-ylethyl)phenyl]methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[[4-(2-piperidin-1-ylethyl)phenyl]methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[[4-(2-piperidin-1-ylethyl)phenyl]methyl]cyclopropan-1-amine is NC1(Cc2ccc(CCN3CCCCC3)cc2)CC1.
What is the InChIKey of 1-[[4-(2-piperidin-1-ylethyl)phenyl]methyl]cyclopropan-1-amine?
The InChIKey is JILMSCHORJXNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c18-17(9-10-17)14-16-6-4-15(5-7-16)8-13-19-11-2-1-3-12-19/h4-7H,1-3,8-14,18H2.
What are the key properties of 1-[[4-(2-piperidin-1-ylethyl)phenyl]methyl]cyclopropan-1-amine?
1-[[4-(2-piperidin-1-ylethyl)phenyl]methyl]cyclopropan-1-amine has a molecular weight of 258.41 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-piperidin-1-ylethyl)phenyl]methyl]cyclopropan-1-amine is sourced from PubChem (CID 117400107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).