[(3S)-1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-3-yl]methanol

C11H16ClN3O — CID 86329185

IUPAC[(3S)-1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-3-yl]methanol
SMILESCc1cc(Cl)nc(N2CCC[C@H](CO)C2)n1
InChIInChI=1S/C11H16ClN3O/c1-8-5-10(12)14-11(13-8)15-4-2-3-9(6-15)7-16/h5,9,16H,2-4,6-7H2,1H3/t9-/m0/s1
InChIKeyCPDCKNXDNOYVJR-VIFPVBQESA-N
MW241.72 g/mol
LogP1.65
Rot. Bonds2

About [(3S)-1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-3-yl]methanol

[(3S)-1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-3-yl]methanol (PubChem CID 86329185) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is [(3S)-1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-3-yl]methanol
PubChem CID86329185
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name[(3S)-1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-3-yl]methanol
SMILESCc1cc(Cl)nc(N2CCC[C@H](CO)C2)n1
InChIInChI=1S/C11H16ClN3O/c1-8-5-10(12)14-11(13-8)15-4-2-3-9(6-15)7-16/h5,9,16H,2-4,6-7H2,1H3/t9-/m0/s1
InChIKeyCPDCKNXDNOYVJR-VIFPVBQESA-N
XLogP1.65
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-3-yl]methanol (CID 86329185) is [(3S)-1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-3-yl]methanol is Cc1cc(Cl)nc(N2CCC[C@H](CO)C2)n1.
What is the InChIKey of [(3S)-1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-3-yl]methanol?
The InChIKey is CPDCKNXDNOYVJR-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-8-5-10(12)14-11(13-8)15-4-2-3-9(6-15)7-16/h5,9,16H,2-4,6-7H2,1H3/t9-/m0/s1.
What are the key properties of [(3S)-1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-3-yl]methanol?
[(3S)-1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-3-yl]methanol has a molecular weight of 241.72 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 86329185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).