N-[(3-cyclopropylphenyl)methyl]-1-ethylpiperidin-3-amine

C17H26N2 — CID 79978789

IUPACN-[(3-cyclopropylphenyl)methyl]-1-ethylpiperidin-3-amine
SMILESCCN1CCCC(NCc2cccc(C3CC3)c2)C1
InChIInChI=1S/C17H26N2/c1-2-19-10-4-7-17(13-19)18-12-14-5-3-6-16(11-14)15-8-9-15/h3,5-6,11,15,17-18H,2,4,7-10,12-13H2,1H3
InChIKeyQNPYSLZCGMNAML-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.14
Rot. Bonds5

About N-[(3-cyclopropylphenyl)methyl]-1-ethylpiperidin-3-amine

N-[(3-cyclopropylphenyl)methyl]-1-ethylpiperidin-3-amine (PubChem CID 79978789) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-[(3-cyclopropylphenyl)methyl]-1-ethylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(3-cyclopropylphenyl)methyl]-1-ethylpiperidin-3-amine
PubChem CID79978789
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-[(3-cyclopropylphenyl)methyl]-1-ethylpiperidin-3-amine
SMILESCCN1CCCC(NCc2cccc(C3CC3)c2)C1
InChIInChI=1S/C17H26N2/c1-2-19-10-4-7-17(13-19)18-12-14-5-3-6-16(11-14)15-8-9-15/h3,5-6,11,15,17-18H,2,4,7-10,12-13H2,1H3
InChIKeyQNPYSLZCGMNAML-UHFFFAOYSA-N
XLogP3.14
TPSA15.27 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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-cyclopropylphenyl)methyl]cyclopentanamine
CID 79979605
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1-ethylpiperidin-3-amine
CID 61171948
1-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-amine
CID 61169019
1-ethyl-N-(pyrimidin-5-ylmethyl)piperidin-3-amine
CID 62759751
N-[(3-cyclopropylphenyl)methyl]-3-methylcyclohexan-1-amine
CID 79978765
N-[(2,3-difluorophenyl)methyl]-1-ethylpiperidin-3-amine
CID 63667561
N-[(5-bromothiophen-3-yl)methyl]-1-ethylpiperidin-3-amine
CID 61169601
1-ethyl-N-[(4-methyl-3-nitrophenyl)methyl]piperidin-3-amine
CID 61169013
N-benzyl-1-butylpiperidin-3-amine
CID 83993554
3-chloro-2-[[(1-ethylpiperidin-3-yl)amino]methyl]phenol
CID 78959324
1-ethyl-N-[(4-nitrophenyl)methyl]piperidin-3-amine
CID 61171344
1-ethyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidin-3-amine
CID 61170766

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropylphenyl)methyl]-1-ethylpiperidin-3-amine?
The IUPAC name of N-[(3-cyclopropylphenyl)methyl]-1-ethylpiperidin-3-amine (CID 79978789) is N-[(3-cyclopropylphenyl)methyl]-1-ethylpiperidin-3-amine.
What is the SMILES notation for N-[(3-cyclopropylphenyl)methyl]-1-ethylpiperidin-3-amine?
The canonical SMILES for N-[(3-cyclopropylphenyl)methyl]-1-ethylpiperidin-3-amine is CCN1CCCC(NCc2cccc(C3CC3)c2)C1.
What is the InChIKey of N-[(3-cyclopropylphenyl)methyl]-1-ethylpiperidin-3-amine?
The InChIKey is QNPYSLZCGMNAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-2-19-10-4-7-17(13-19)18-12-14-5-3-6-16(11-14)15-8-9-15/h3,5-6,11,15,17-18H,2,4,7-10,12-13H2,1H3.
What are the key properties of N-[(3-cyclopropylphenyl)methyl]-1-ethylpiperidin-3-amine?
N-[(3-cyclopropylphenyl)methyl]-1-ethylpiperidin-3-amine has a molecular weight of 258.41 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropylphenyl)methyl]-1-ethylpiperidin-3-amine is sourced from PubChem (CID 79978789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).