1-[2-[(2R)-1-[(2-chloro-5-fluorophenyl)methyl]piperidin-2-yl]ethyl]-4-methylpiperazine

C19H29ClFN3 — CID 99932558

IUPAC1-[2-[(2R)-1-[(2-chloro-5-fluorophenyl)methyl]piperidin-2-yl]ethyl]-4-methylpiperazine
SMILESCN1CCN(CC[C@H]2CCCCN2Cc2cc(F)ccc2Cl)CC1
InChIInChI=1S/C19H29ClFN3/c1-22-10-12-23(13-11-22)9-7-18-4-2-3-8-24(18)15-16-14-17(21)5-6-19(16)20/h5-6,14,18H,2-4,7-13,15H2,1H3/t18-/m1/s1
InChIKeySXPYTFWRGPCPHF-GOSISDBHSA-N
MW353.91 g/mol
LogP3.47
Rot. Bonds5

About 1-[2-[(2R)-1-[(2-chloro-5-fluorophenyl)methyl]piperidin-2-yl]ethyl]-4-methylpiperazine

1-[2-[(2R)-1-[(2-chloro-5-fluorophenyl)methyl]piperidin-2-yl]ethyl]-4-methylpiperazine (PubChem CID 99932558) has the molecular formula C19H29ClFN3 and a molecular weight of 353.91 g/mol. Its IUPAC name is 1-[2-[(2R)-1-[(2-chloro-5-fluorophenyl)methyl]piperidin-2-yl]ethyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[2-[(2R)-1-[(2-chloro-5-fluorophenyl)methyl]piperidin-2-yl]ethyl]-4-methylpiperazine
PubChem CID99932558
Molecular FormulaC19H29ClFN3
Molecular Weight353.91 g/mol
Exact Mass353.20
IUPAC Name1-[2-[(2R)-1-[(2-chloro-5-fluorophenyl)methyl]piperidin-2-yl]ethyl]-4-methylpiperazine
SMILESCN1CCN(CC[C@H]2CCCCN2Cc2cc(F)ccc2Cl)CC1
InChIInChI=1S/C19H29ClFN3/c1-22-10-12-23(13-11-22)9-7-18-4-2-3-8-24(18)15-16-14-17(21)5-6-19(16)20/h5-6,14,18H,2-4,7-13,15H2,1H3/t18-/m1/s1
InChIKeySXPYTFWRGPCPHF-GOSISDBHSA-N
XLogP3.47
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.91
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chloro-5-fluorophenyl)methyl]-2-(chloromethyl)azepane
CID 102620248
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2-(bromomethyl)-1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidine
CID 102620187
[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 120966357
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CID 56707041
[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-2-yl]methanesulfonamide
CID 122150909
3-[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-2-yl]propanoic acid
CID 105372416
[(2S)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanamine
CID 86329767
[(2R)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanol
CID 86329631
2-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-2-yl]ethanol
CID 113345056
1-[1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 65318364
3-[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]propanoic acid
CID 62215995

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R)-1-[(2-chloro-5-fluorophenyl)methyl]piperidin-2-yl]ethyl]-4-methylpiperazine?
The IUPAC name of 1-[2-[(2R)-1-[(2-chloro-5-fluorophenyl)methyl]piperidin-2-yl]ethyl]-4-methylpiperazine (CID 99932558) is 1-[2-[(2R)-1-[(2-chloro-5-fluorophenyl)methyl]piperidin-2-yl]ethyl]-4-methylpiperazine.
What is the SMILES notation for 1-[2-[(2R)-1-[(2-chloro-5-fluorophenyl)methyl]piperidin-2-yl]ethyl]-4-methylpiperazine?
The canonical SMILES for 1-[2-[(2R)-1-[(2-chloro-5-fluorophenyl)methyl]piperidin-2-yl]ethyl]-4-methylpiperazine is CN1CCN(CC[C@H]2CCCCN2Cc2cc(F)ccc2Cl)CC1.
What is the InChIKey of 1-[2-[(2R)-1-[(2-chloro-5-fluorophenyl)methyl]piperidin-2-yl]ethyl]-4-methylpiperazine?
The InChIKey is SXPYTFWRGPCPHF-GOSISDBHSA-N. The full InChI is InChI=1S/C19H29ClFN3/c1-22-10-12-23(13-11-22)9-7-18-4-2-3-8-24(18)15-16-14-17(21)5-6-19(16)20/h5-6,14,18H,2-4,7-13,15H2,1H3/t18-/m1/s1.
What are the key properties of 1-[2-[(2R)-1-[(2-chloro-5-fluorophenyl)methyl]piperidin-2-yl]ethyl]-4-methylpiperazine?
1-[2-[(2R)-1-[(2-chloro-5-fluorophenyl)methyl]piperidin-2-yl]ethyl]-4-methylpiperazine has a molecular weight of 353.91 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R)-1-[(2-chloro-5-fluorophenyl)methyl]piperidin-2-yl]ethyl]-4-methylpiperazine is sourced from PubChem (CID 99932558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).