1-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-N-methylpropan-2-amine

C16H25FN2 — CID 83982807

IUPAC1-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-N-methylpropan-2-amine
SMILESCNC(C)CC1CCCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C16H25FN2/c1-13(18-2)10-15-4-3-9-19(12-15)11-14-5-7-16(17)8-6-14/h5-8,13,15,18H,3-4,9-12H2,1-2H3
InChIKeyDUZAHAKOBACHSE-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.04
Rot. Bonds5

About 1-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-N-methylpropan-2-amine

1-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-N-methylpropan-2-amine (PubChem CID 83982807) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-N-methylpropan-2-amine
PubChem CID83982807
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name1-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-N-methylpropan-2-amine
SMILESCNC(C)CC1CCCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C16H25FN2/c1-13(18-2)10-15-4-3-9-19(12-15)11-14-5-7-16(17)8-6-14/h5-8,13,15,18H,3-4,9-12H2,1-2H3
InChIKeyDUZAHAKOBACHSE-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylpropan-2-amine
CID 83986174
4-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]butan-2-amine
CID 83982798
1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]propan-2-amine
CID 83986159
(3R)-1-[(4-fluorophenyl)methyl]-3-methylpiperidine
CID 51531587
2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2-(methylamino)acetic acid
CID 83982815
methyl 2-amino-3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]propanoate
CID 83986142
N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 62593449
1-(1-benzylpiperidin-3-yl)-3-methylbutan-2-amine
CID 83982592
2-methyl-3-[1-[(4-methylphenyl)methyl]piperidin-3-yl]propanoic acid
CID 83982703
(3R)-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)piperidine
CID 51970058
1-[1-[(4-iodophenyl)methyl]piperidin-3-yl]-N-methylmethanamine
CID 65479043
(3R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 94024257

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-N-methylpropan-2-amine (CID 83982807) is 1-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-N-methylpropan-2-amine is CNC(C)CC1CCCN(Cc2ccc(F)cc2)C1.
What is the InChIKey of 1-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-N-methylpropan-2-amine?
The InChIKey is DUZAHAKOBACHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-13(18-2)10-15-4-3-9-19(12-15)11-14-5-7-16(17)8-6-14/h5-8,13,15,18H,3-4,9-12H2,1-2H3.
What are the key properties of 1-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-N-methylpropan-2-amine?
1-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-N-methylpropan-2-amine has a molecular weight of 264.39 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 83982807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).