1-[(2S)-1-(2-fluorophenyl)propan-2-yl]-4-piperidin-1-ylpiperidine

C19H29FN2 — CID 30980084

IUPAC1-[(2S)-1-(2-fluorophenyl)propan-2-yl]-4-piperidin-1-ylpiperidine
SMILESC[C@@H](Cc1ccccc1F)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C19H29FN2/c1-16(15-17-7-3-4-8-19(17)20)21-13-9-18(10-14-21)22-11-5-2-6-12-22/h3-4,7-8,16,18H,2,5-6,9-15H2,1H3/t16-/m0/s1
InChIKeyDGVULUJDWLMVOL-INIZCTEOSA-N
MW304.45 g/mol
LogP3.71
Rot. Bonds4

About 1-[(2S)-1-(2-fluorophenyl)propan-2-yl]-4-piperidin-1-ylpiperidine

1-[(2S)-1-(2-fluorophenyl)propan-2-yl]-4-piperidin-1-ylpiperidine (PubChem CID 30980084) has the molecular formula C19H29FN2 and a molecular weight of 304.45 g/mol. Its IUPAC name is 1-[(2S)-1-(2-fluorophenyl)propan-2-yl]-4-piperidin-1-ylpiperidine.

Molecular Properties

Compound Name1-[(2S)-1-(2-fluorophenyl)propan-2-yl]-4-piperidin-1-ylpiperidine
PubChem CID30980084
Molecular FormulaC19H29FN2
Molecular Weight304.45 g/mol
Exact Mass304.23
IUPAC Name1-[(2S)-1-(2-fluorophenyl)propan-2-yl]-4-piperidin-1-ylpiperidine
SMILESC[C@@H](Cc1ccccc1F)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C19H29FN2/c1-16(15-17-7-3-4-8-19(17)20)21-13-9-18(10-14-21)22-11-5-2-6-12-22/h3-4,7-8,16,18H,2,5-6,9-15H2,1H3/t16-/m0/s1
InChIKeyDGVULUJDWLMVOL-INIZCTEOSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-1-[1-(2-fluorophenyl)propan-2-yl]piperidin-4-amine
CID 114832472
1-[1-(2-fluorophenyl)propan-2-yl]-N-methylpiperidin-3-amine
CID 114832275
1-[1-(2-fluorophenyl)propan-2-yl]-3,5-dimethylpiperazine
CID 114832318
1-[4-[(2R)-1-(2-fluorophenyl)propan-2-yl]piperazin-1-yl]ethanone
CID 30980260
(2R,6R)-4-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2,6-dimethylmorpholine
CID 30979549
2-[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-3-yl]ethanamine
CID 114832329
N-[[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-3-yl]methyl]propan-2-amine
CID 114832283
1-[1-(2-fluorophenyl)propan-2-yl]azepane-2-carboxylic acid
CID 114834790
1-[4-(azepan-1-yl)piperidin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 110667113
3-[1-[1-(2-fluorophenyl)propan-2-yl]pyrrolidin-3-yl]propanoic acid
CID 114834840
4-(4-piperidin-1-ylpiperidin-1-yl)pentan-1-amine
CID 62428370
1-cyclopentyl-4-[(2-fluorophenyl)methyl]piperazine
CID 740956

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-(2-fluorophenyl)propan-2-yl]-4-piperidin-1-ylpiperidine?
The IUPAC name of 1-[(2S)-1-(2-fluorophenyl)propan-2-yl]-4-piperidin-1-ylpiperidine (CID 30980084) is 1-[(2S)-1-(2-fluorophenyl)propan-2-yl]-4-piperidin-1-ylpiperidine.
What is the SMILES notation for 1-[(2S)-1-(2-fluorophenyl)propan-2-yl]-4-piperidin-1-ylpiperidine?
The canonical SMILES for 1-[(2S)-1-(2-fluorophenyl)propan-2-yl]-4-piperidin-1-ylpiperidine is C[C@@H](Cc1ccccc1F)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 1-[(2S)-1-(2-fluorophenyl)propan-2-yl]-4-piperidin-1-ylpiperidine?
The InChIKey is DGVULUJDWLMVOL-INIZCTEOSA-N. The full InChI is InChI=1S/C19H29FN2/c1-16(15-17-7-3-4-8-19(17)20)21-13-9-18(10-14-21)22-11-5-2-6-12-22/h3-4,7-8,16,18H,2,5-6,9-15H2,1H3/t16-/m0/s1.
What are the key properties of 1-[(2S)-1-(2-fluorophenyl)propan-2-yl]-4-piperidin-1-ylpiperidine?
1-[(2S)-1-(2-fluorophenyl)propan-2-yl]-4-piperidin-1-ylpiperidine has a molecular weight of 304.45 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-(2-fluorophenyl)propan-2-yl]-4-piperidin-1-ylpiperidine is sourced from PubChem (CID 30980084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).