N-[(4-fluoro-2-methylphenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine

C17H27FN2 — CID 79715126

IUPACN-[(4-fluoro-2-methylphenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
SMILESCCCN(Cc1ccc(F)cc1C)CC1CCNCC1
InChIInChI=1S/C17H27FN2/c1-3-10-20(12-15-6-8-19-9-7-15)13-16-4-5-17(18)11-14(16)2/h4-5,11,15,19H,3,6-10,12-13H2,1-2H3
InChIKeyDMVQLJLBPIQFGQ-UHFFFAOYSA-N
MW278.41 g/mol
LogP3.35
Rot. Bonds6

About N-[(4-fluoro-2-methylphenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine

N-[(4-fluoro-2-methylphenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine (PubChem CID 79715126) has the molecular formula C17H27FN2 and a molecular weight of 278.41 g/mol. Its IUPAC name is N-[(4-fluoro-2-methylphenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[(4-fluoro-2-methylphenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
PubChem CID79715126
Molecular FormulaC17H27FN2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC NameN-[(4-fluoro-2-methylphenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
SMILESCCCN(Cc1ccc(F)cc1C)CC1CCNCC1
InChIInChI=1S/C17H27FN2/c1-3-10-20(12-15-6-8-19-9-7-15)13-16-4-5-17(18)11-14(16)2/h4-5,11,15,19H,3,6-10,12-13H2,1-2H3
InChIKeyDMVQLJLBPIQFGQ-UHFFFAOYSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluoro-2-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625464
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79717050
4-bromo-2-[[piperidin-4-ylmethyl(propyl)amino]methyl]phenol
CID 107739182
N-[(3-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79715336
5-fluoro-2-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile
CID 79716523
N-[(2,5-difluorophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623577
N-[(2-bromo-4-fluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615968
N-[(3-fluoro-4-methylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715680
N-[(2,4-difluorophenyl)methyl]-2-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]propan-1-amine
CID 11536482
N-[(5-bromothiophen-3-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79714133
N-[(2-bromo-4-fluorophenyl)methyl]-N-propylpiperidin-4-amine
CID 60806488
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615580

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine?
The IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine (CID 79715126) is N-[(4-fluoro-2-methylphenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine.
What is the SMILES notation for N-[(4-fluoro-2-methylphenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine?
The canonical SMILES for N-[(4-fluoro-2-methylphenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine is CCCN(Cc1ccc(F)cc1C)CC1CCNCC1.
What is the InChIKey of N-[(4-fluoro-2-methylphenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine?
The InChIKey is DMVQLJLBPIQFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-3-10-20(12-15-6-8-19-9-7-15)13-16-4-5-17(18)11-14(16)2/h4-5,11,15,19H,3,6-10,12-13H2,1-2H3.
What are the key properties of N-[(4-fluoro-2-methylphenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine?
N-[(4-fluoro-2-methylphenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine has a molecular weight of 278.41 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-2-methylphenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 79715126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).