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

C16H25FN2 — CID 83982798

IUPAC4-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]butan-2-amine
SMILESCC(N)CCC1CCCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C16H25FN2/c1-13(18)4-5-14-3-2-10-19(11-14)12-15-6-8-16(17)9-7-15/h6-9,13-14H,2-5,10-12,18H2,1H3
InChIKeyUUIDLVZHTNOTTG-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.17
Rot. Bonds5

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

4-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]butan-2-amine (PubChem CID 83982798) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 4-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]butan-2-amine.

Molecular Properties

Compound Name4-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]butan-2-amine
PubChem CID83982798
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name4-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]butan-2-amine
SMILESCC(N)CCC1CCCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C16H25FN2/c1-13(18)4-5-14-3-2-10-19(11-14)12-15-6-8-16(17)9-7-15/h6-9,13-14H,2-5,10-12,18H2,1H3
InChIKeyUUIDLVZHTNOTTG-UHFFFAOYSA-N
XLogP3.17
TPSA29.26 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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]propan-2-amine
CID 83986159
1-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-N-methylpropan-2-amine
CID 83982807
(3R)-1-[(4-fluorophenyl)methyl]-3-methylpiperidine
CID 51531587
2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728185
1-[(4-fluorophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 53422149
1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylpropan-2-amine
CID 83986174
1-(1-benzylpiperidin-3-yl)-3-methylbutan-2-amine
CID 83982592
2-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728410
(3S)-3-[(4-fluorophenyl)methyl]-1-[(1-methylpiperidin-4-yl)methyl]piperidine
CID 141046159
(3R)-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)piperidine
CID 51970058
3-[2-(4-fluorophenyl)ethyl]-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine
CID 56906309
3-[1-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]piperidin-3-yl]propanoic acid
CID 122101111

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]butan-2-amine?
The IUPAC name of 4-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]butan-2-amine (CID 83982798) is 4-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]butan-2-amine.
What is the SMILES notation for 4-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]butan-2-amine?
The canonical SMILES for 4-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]butan-2-amine is CC(N)CCC1CCCN(Cc2ccc(F)cc2)C1.
What is the InChIKey of 4-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]butan-2-amine?
The InChIKey is UUIDLVZHTNOTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-13(18)4-5-14-3-2-10-19(11-14)12-15-6-8-16(17)9-7-15/h6-9,13-14H,2-5,10-12,18H2,1H3.
What are the key properties of 4-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]butan-2-amine?
4-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]butan-2-amine has a molecular weight of 264.39 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]butan-2-amine is sourced from PubChem (CID 83982798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).