1-(2-fluorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-1-amine

C16H25FN2 — CID 112679240

IUPAC1-(2-fluorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-1-amine
SMILESCCC(c1ccccc1F)N(C)CC1CCNCC1
InChIInChI=1S/C16H25FN2/c1-3-16(14-6-4-5-7-15(14)17)19(2)12-13-8-10-18-11-9-13/h4-7,13,16,18H,3,8-12H2,1-2H3
InChIKeyPFROZFZUBJOZKD-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.21
Rot. Bonds5

About 1-(2-fluorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-1-amine

1-(2-fluorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-1-amine (PubChem CID 112679240) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-1-amine
PubChem CID112679240
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name1-(2-fluorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-1-amine
SMILESCCC(c1ccccc1F)N(C)CC1CCNCC1
InChIInChI=1S/C16H25FN2/c1-3-16(14-6-4-5-7-15(14)17)19(2)12-13-8-10-18-11-9-13/h4-7,13,16,18H,3,8-12H2,1-2H3
InChIKeyPFROZFZUBJOZKD-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-3-ylmethyl)propan-1-amine
CID 106623894
1-(4-fluorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79707251
1-(2-fluorophenyl)-N-methyl-N-(2-piperidin-4-ylethyl)ethanamine
CID 62984190
N-[(2-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79715212
1-N-(cyclopentylmethyl)-1-(2-fluorophenyl)-1-N-methylbutane-1,2-diamine
CID 63633108
N-methyl-1-(3-nitrophenyl)-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79698576
N-methyl-4-phenyl-N-(piperidin-4-ylmethyl)butan-2-amine
CID 79707519
N-(cyclopropylmethyl)-1-(2,3-difluorophenyl)-N-methylethane-1,2-diamine
CID 63668937
2-[1-[piperidin-4-ylmethyl(propyl)amino]ethyl]phenol
CID 79715840
N-(cyclobutylmethyl)-N-ethyl-1-(2-fluorophenyl)ethane-1,2-diamine
CID 107397363
1-(4-chlorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-2-amine
CID 103815876
2-fluoro-6-hydroxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 107015989

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-1-amine?
The IUPAC name of 1-(2-fluorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-1-amine (CID 112679240) is 1-(2-fluorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-1-amine?
The canonical SMILES for 1-(2-fluorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-1-amine is CCC(c1ccccc1F)N(C)CC1CCNCC1.
What is the InChIKey of 1-(2-fluorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-1-amine?
The InChIKey is PFROZFZUBJOZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-3-16(14-6-4-5-7-15(14)17)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-(2-fluorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-1-amine?
1-(2-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-(2-fluorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 112679240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).