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

C16H25ClN2 — CID 79715336

IUPACN-[(3-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
SMILESCCCN(Cc1cccc(Cl)c1)CC1CCNCC1
InChIInChI=1S/C16H25ClN2/c1-2-10-19(12-14-6-8-18-9-7-14)13-15-4-3-5-16(17)11-15/h3-5,11,14,18H,2,6-10,12-13H2,1H3
InChIKeyQCDGBKYTRMYWBE-UHFFFAOYSA-N
MW280.84 g/mol
LogP3.55
Rot. Bonds6

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

N-[(3-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine (PubChem CID 79715336) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
PubChem CID79715336
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC NameN-[(3-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
SMILESCCCN(Cc1cccc(Cl)c1)CC1CCNCC1
InChIInChI=1S/C16H25ClN2/c1-2-10-19(12-14-6-8-18-9-7-14)13-15-4-3-5-16(17)11-15/h3-5,11,14,18H,2,6-10,12-13H2,1H3
InChIKeyQCDGBKYTRMYWBE-UHFFFAOYSA-N
XLogP3.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715386
N-[(2-chloro-6-methoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
CID 104816804
N-[(5-bromothiophen-3-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79714133
N-(cyclopropylmethyl)-N-[(3,4-difluorophenyl)methyl]propan-1-amine
CID 78820869
N-[(2,5-dichlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79717298
N-[(3-chlorophenyl)methyl]-N-ethylethanamine
CID 21325551
N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715751
[4-[[(3-chlorophenyl)methyl-(cyclohexylmethyl)amino]methyl]cyclohexyl]methanamine
CID 142934612
N-benzyl-N-[[(3S)-piperidin-3-yl]methyl]propan-1-amine
CID 129381793
N-[[3-(difluoromethyl)phenyl]methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625184
N-[(4-fluoro-2-methylphenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79715126
N-[(1-ethylpyrazol-4-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79714314

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine (CID 79715336) is N-[(3-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine is CCCN(Cc1cccc(Cl)c1)CC1CCNCC1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine?
The InChIKey is QCDGBKYTRMYWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-2-10-19(12-14-6-8-18-9-7-14)13-15-4-3-5-16(17)11-15/h3-5,11,14,18H,2,6-10,12-13H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine?
N-[(3-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine has a molecular weight of 280.84 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 79715336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).