N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine

C18H30N2 — CID 106625448

IUPACN-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
SMILESCCCN(Cc1ccc(CC)cc1)CC1CCCNC1
InChIInChI=1S/C18H30N2/c1-3-12-20(15-18-6-5-11-19-13-18)14-17-9-7-16(4-2)8-10-17/h7-10,18-19H,3-6,11-15H2,1-2H3
InChIKeyIJLGNKPEPQIYEP-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.46
Rot. Bonds7

About N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine

N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine (PubChem CID 106625448) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
PubChem CID106625448
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
SMILESCCCN(Cc1ccc(CC)cc1)CC1CCCNC1
InChIInChI=1S/C18H30N2/c1-3-12-20(15-18-6-5-11-19-13-18)14-17-9-7-16(4-2)8-10-17/h7-10,18-19H,3-6,11-15H2,1-2H3
InChIKeyIJLGNKPEPQIYEP-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-[[(3S)-piperidin-3-yl]methyl]propan-1-amine
CID 129381793
N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624684
4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzonitrile
CID 106625307
4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzamide
CID 106640797
N-[(4-methoxy-3-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625212
N-[(4-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624468
N-[(3-bromo-4-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625257
N-[[3-(difluoromethyl)phenyl]methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625184
N-[(5-bromo-3-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625380
N-[(4-fluoro-2-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625464
N-[(2,5-dichlorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106640868
4-phenyl-N-(piperidin-3-ylmethyl)-N-propylbutan-1-amine
CID 106640732

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine?
The IUPAC name of N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine (CID 106625448) is N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine is CCCN(Cc1ccc(CC)cc1)CC1CCCNC1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine?
The InChIKey is IJLGNKPEPQIYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-3-12-20(15-18-6-5-11-19-13-18)14-17-9-7-16(4-2)8-10-17/h7-10,18-19H,3-6,11-15H2,1-2H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine?
N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 106625448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).