1-(4-fluorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-1-amine

C16H25FN2 — CID 79707251

IUPAC1-(4-fluorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-1-amine
SMILESCCC(c1ccc(F)cc1)N(C)CC1CCNCC1
InChIInChI=1S/C16H25FN2/c1-3-16(14-4-6-15(17)7-5-14)19(2)12-13-8-10-18-11-9-13/h4-7,13,16,18H,3,8-12H2,1-2H3
InChIKeyGQAWVLWLFBKOSY-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.21
Rot. Bonds5

About 1-(4-fluorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-1-amine

1-(4-fluorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-1-amine (PubChem CID 79707251) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-1-amine
PubChem CID79707251
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name1-(4-fluorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-1-amine
SMILESCCC(c1ccc(F)cc1)N(C)CC1CCNCC1
InChIInChI=1S/C16H25FN2/c1-3-16(14-4-6-15(17)7-5-14)19(2)12-13-8-10-18-11-9-13/h4-7,13,16,18H,3,8-12H2,1-2H3
InChIKeyGQAWVLWLFBKOSY-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-1-amine
CID 112679240
N-(cyclopropylmethyl)-1-(4-fluorophenyl)-N-methylethane-1,2-diamine
CID 60985647
1-(4-fluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)propan-1-amine
CID 63267366
N-methyl-1-(3-nitrophenyl)-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79698576
N-[1-(4-fluorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79715924
4-[1-[methyl(oxan-4-ylmethyl)amino]propyl]phenol
CID 82981409
1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 106623943
4-[1-(4-fluorophenyl)propyl]piperidine;hydrochloride
CID 175461872
1-N-(cyclopropylmethyl)-1-(4-fluorophenyl)-1-N-methylpropane-1,2-diamine
CID 55016538
1-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 114832441
N,2-dimethyl-N-(piperidin-4-ylmethyl)pentan-3-amine
CID 79707694
1-(4-fluorophenyl)-1-N-methyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine
CID 63726256

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-1-amine (CID 79707251) is 1-(4-fluorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-1-amine is CCC(c1ccc(F)cc1)N(C)CC1CCNCC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-1-amine?
The InChIKey is GQAWVLWLFBKOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-3-16(14-4-6-15(17)7-5-14)19(2)12-13-8-10-18-11-9-13/h4-7,13,16,18H,3,8-12H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-1-amine?
1-(4-fluorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-1-amine has a molecular weight of 264.39 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 79707251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).