(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoro-3-methylpiperidine

C12H20FN3 — CID 129488065

IUPAC(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoro-3-methylpiperidine
SMILESCc1c(CN2CCC[C@](C)(F)C2)cnn1C
InChIInChI=1S/C12H20FN3/c1-10-11(7-14-15(10)3)8-16-6-4-5-12(2,13)9-16/h7H,4-6,8-9H2,1-3H3/t12-/m0/s1
InChIKeyCZAUZZZQJNTZKM-LBPRGKRZSA-N
MW225.31 g/mol
LogP2.05
Rot. Bonds2

About (3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoro-3-methylpiperidine

(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoro-3-methylpiperidine (PubChem CID 129488065) has the molecular formula C12H20FN3 and a molecular weight of 225.31 g/mol. Its IUPAC name is (3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoro-3-methylpiperidine.

Molecular Properties

Compound Name(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoro-3-methylpiperidine
PubChem CID129488065
Molecular FormulaC12H20FN3
Molecular Weight225.31 g/mol
Exact Mass225.16
IUPAC Name(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoro-3-methylpiperidine
SMILESCc1c(CN2CCC[C@](C)(F)C2)cnn1C
InChIInChI=1S/C12H20FN3/c1-10-11(7-14-15(10)3)8-16-6-4-5-12(2,13)9-16/h7H,4-6,8-9H2,1-3H3/t12-/m0/s1
InChIKeyCZAUZZZQJNTZKM-LBPRGKRZSA-N
XLogP2.05
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoro-3-methylpiperidine?
The IUPAC name of (3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoro-3-methylpiperidine (CID 129488065) is (3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoro-3-methylpiperidine.
What is the SMILES notation for (3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoro-3-methylpiperidine?
The canonical SMILES for (3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoro-3-methylpiperidine is Cc1c(CN2CCC[C@](C)(F)C2)cnn1C.
What is the InChIKey of (3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoro-3-methylpiperidine?
The InChIKey is CZAUZZZQJNTZKM-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H20FN3/c1-10-11(7-14-15(10)3)8-16-6-4-5-12(2,13)9-16/h7H,4-6,8-9H2,1-3H3/t12-/m0/s1.
What are the key properties of (3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoro-3-methylpiperidine?
(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoro-3-methylpiperidine has a molecular weight of 225.31 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoro-3-methylpiperidine is sourced from PubChem (CID 129488065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).