3-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-4-phenylbutan-2-ol

C22H29FN2O — CID 22351223

IUPAC3-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-4-phenylbutan-2-ol
SMILESNC(Cc1ccccc1)C(O)CN1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C22H29FN2O/c23-20-8-6-18(7-9-20)14-19-10-12-25(13-11-19)16-22(26)21(24)15-17-4-2-1-3-5-17/h1-9,19,21-22,26H,10-16,24H2
InChIKeyBCQGZRAMXRCRGK-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.01
Rot. Bonds7

About 3-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-4-phenylbutan-2-ol

3-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-4-phenylbutan-2-ol (PubChem CID 22351223) has the molecular formula C22H29FN2O and a molecular weight of 356.49 g/mol. Its IUPAC name is 3-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-4-phenylbutan-2-ol.

Molecular Properties

Compound Name3-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-4-phenylbutan-2-ol
PubChem CID22351223
Molecular FormulaC22H29FN2O
Molecular Weight356.49 g/mol
Exact Mass356.23
IUPAC Name3-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-4-phenylbutan-2-ol
SMILESNC(Cc1ccccc1)C(O)CN1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C22H29FN2O/c23-20-8-6-18(7-9-20)14-19-10-12-25(13-11-19)16-22(26)21(24)15-17-4-2-1-3-5-17/h1-9,19,21-22,26H,10-16,24H2
InChIKeyBCQGZRAMXRCRGK-UHFFFAOYSA-N
XLogP3.01
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(4-benzylpiperidin-1-yl)-3-phenylpropan-2-amine
CID 22689597
(3R)-3-amino-4-phenyl-1-pyrrolidin-1-ylbutan-2-ol
CID 143402490
(2S,3R)-3-amino-1-morpholin-4-yl-4-phenylbutan-2-ol;sulfane;dihydrochloride
CID 161196284
1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-(methylamino)propan-2-ol
CID 59036687
3-amino-4-phenyl-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]butan-2-ol
CID 166105707
(2S,3R)-3-amino-4-phenyl-1-(3-phenylpiperidin-1-yl)butan-2-ol
CID 15947125
(2S)-1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-3-phenylpropan-2-amine
CID 11650367
(2S,3R)-3-amino-4-phenyl-1-(3-phenylpiperidin-1-yl)butan-2-ol;dihydrochloride
CID 15947124
(2S)-1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-3-phenylpropan-2-amine;oxalic acid
CID 11650366
4-[(4-fluorophenyl)methyl]-1-phenylsulfanylpiperidine
CID 88652674
2-[(4-benzylpiperidin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 103366109
(2S,3R)-3-amino-4-phenyl-1-(3-phenylpiperidin-1-yl)butan-2-ol;methane;sulfane;dihydrochloride
CID 158132619

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-4-phenylbutan-2-ol?
The IUPAC name of 3-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-4-phenylbutan-2-ol (CID 22351223) is 3-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-4-phenylbutan-2-ol.
What is the SMILES notation for 3-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-4-phenylbutan-2-ol?
The canonical SMILES for 3-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-4-phenylbutan-2-ol is NC(Cc1ccccc1)C(O)CN1CCC(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 3-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-4-phenylbutan-2-ol?
The InChIKey is BCQGZRAMXRCRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2O/c23-20-8-6-18(7-9-20)14-19-10-12-25(13-11-19)16-22(26)21(24)15-17-4-2-1-3-5-17/h1-9,19,21-22,26H,10-16,24H2.
What are the key properties of 3-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-4-phenylbutan-2-ol?
3-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-4-phenylbutan-2-ol has a molecular weight of 356.49 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-4-phenylbutan-2-ol is sourced from PubChem (CID 22351223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).