(3S)-3-[(4-fluorophenyl)methyl]-1-[(1-methylpiperidin-4-yl)methyl]piperidine

C19H29FN2 — CID 141046159

IUPAC(3S)-3-[(4-fluorophenyl)methyl]-1-[(1-methylpiperidin-4-yl)methyl]piperidine
SMILESCN1CCC(CN2CCC[C@@H](Cc3ccc(F)cc3)C2)CC1
InChIInChI=1S/C19H29FN2/c1-21-11-8-17(9-12-21)14-22-10-2-3-18(15-22)13-16-4-6-19(20)7-5-16/h4-7,17-18H,2-3,8-15H2,1H3/t18-/m0/s1
InChIKeyQJEMIFQRMYCBJX-SFHVURJKSA-N
MW304.45 g/mol
LogP3.42
Rot. Bonds4

About (3S)-3-[(4-fluorophenyl)methyl]-1-[(1-methylpiperidin-4-yl)methyl]piperidine

(3S)-3-[(4-fluorophenyl)methyl]-1-[(1-methylpiperidin-4-yl)methyl]piperidine (PubChem CID 141046159) has the molecular formula C19H29FN2 and a molecular weight of 304.45 g/mol. Its IUPAC name is (3S)-3-[(4-fluorophenyl)methyl]-1-[(1-methylpiperidin-4-yl)methyl]piperidine.

Molecular Properties

Compound Name(3S)-3-[(4-fluorophenyl)methyl]-1-[(1-methylpiperidin-4-yl)methyl]piperidine
PubChem CID141046159
Molecular FormulaC19H29FN2
Molecular Weight304.45 g/mol
Exact Mass304.23
IUPAC Name(3S)-3-[(4-fluorophenyl)methyl]-1-[(1-methylpiperidin-4-yl)methyl]piperidine
SMILESCN1CCC(CN2CCC[C@@H](Cc3ccc(F)cc3)C2)CC1
InChIInChI=1S/C19H29FN2/c1-21-11-8-17(9-12-21)14-22-10-2-3-18(15-22)13-16-4-6-19(20)7-5-16/h4-7,17-18H,2-3,8-15H2,1H3/t18-/m0/s1
InChIKeyQJEMIFQRMYCBJX-SFHVURJKSA-N
XLogP3.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.45
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]piperidine
CID 142103479
1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methyl]piperidine;ethane
CID 142001258
3-[2-(4-fluorophenyl)ethyl]-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine
CID 56862084
(3R)-3-[2-(4-fluorophenyl)ethyl]-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine
CID 95402385
(2R,3S,4R)-4-fluoro-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-amine
CID 68654566
2-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-N,N-dimethylacetamide
CID 154807730
4-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]butan-2-amine
CID 83982798
N-[(1R,3S,4R)-4-amino-3-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]-N-methylacetamide
CID 59691729
4-[(4-fluorophenyl)methyl]-1-(piperidin-4-ylmethyl)piperidine;hydrochloride
CID 119931258
3-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]propanoic acid
CID 119136182
4-benzyl-1-methylazepane
CID 123177845
4-[(3,5-difluorophenyl)methyl]-1-methylpiperidine
CID 155020969

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(4-fluorophenyl)methyl]-1-[(1-methylpiperidin-4-yl)methyl]piperidine?
The IUPAC name of (3S)-3-[(4-fluorophenyl)methyl]-1-[(1-methylpiperidin-4-yl)methyl]piperidine (CID 141046159) is (3S)-3-[(4-fluorophenyl)methyl]-1-[(1-methylpiperidin-4-yl)methyl]piperidine.
What is the SMILES notation for (3S)-3-[(4-fluorophenyl)methyl]-1-[(1-methylpiperidin-4-yl)methyl]piperidine?
The canonical SMILES for (3S)-3-[(4-fluorophenyl)methyl]-1-[(1-methylpiperidin-4-yl)methyl]piperidine is CN1CCC(CN2CCC[C@@H](Cc3ccc(F)cc3)C2)CC1.
What is the InChIKey of (3S)-3-[(4-fluorophenyl)methyl]-1-[(1-methylpiperidin-4-yl)methyl]piperidine?
The InChIKey is QJEMIFQRMYCBJX-SFHVURJKSA-N. The full InChI is InChI=1S/C19H29FN2/c1-21-11-8-17(9-12-21)14-22-10-2-3-18(15-22)13-16-4-6-19(20)7-5-16/h4-7,17-18H,2-3,8-15H2,1H3/t18-/m0/s1.
What are the key properties of (3S)-3-[(4-fluorophenyl)methyl]-1-[(1-methylpiperidin-4-yl)methyl]piperidine?
(3S)-3-[(4-fluorophenyl)methyl]-1-[(1-methylpiperidin-4-yl)methyl]piperidine has a molecular weight of 304.45 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(4-fluorophenyl)methyl]-1-[(1-methylpiperidin-4-yl)methyl]piperidine is sourced from PubChem (CID 141046159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).