(2S)-1-[4-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol

C15H27ClN4O — CID 95274203

IUPAC(2S)-1-[4-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
SMILESCc1nn(C)c(Cl)c1CNCC1CCN(C[C@H](C)O)CC1
InChIInChI=1S/C15H27ClN4O/c1-11(21)10-20-6-4-13(5-7-20)8-17-9-14-12(2)18-19(3)15(14)16/h11,13,17,21H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyYBJVKTNPDXLAJM-NSHDSACASA-N
MW314.86 g/mol
LogP1.56
Rot. Bonds6

About (2S)-1-[4-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol

(2S)-1-[4-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol (PubChem CID 95274203) has the molecular formula C15H27ClN4O and a molecular weight of 314.86 g/mol. Its IUPAC name is (2S)-1-[4-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[4-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
PubChem CID95274203
Molecular FormulaC15H27ClN4O
Molecular Weight314.86 g/mol
Exact Mass314.19
IUPAC Name(2S)-1-[4-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
SMILESCc1nn(C)c(Cl)c1CNCC1CCN(C[C@H](C)O)CC1
InChIInChI=1S/C15H27ClN4O/c1-11(21)10-20-6-4-13(5-7-20)8-17-9-14-12(2)18-19(3)15(14)16/h11,13,17,21H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyYBJVKTNPDXLAJM-NSHDSACASA-N
XLogP1.56
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-1-[4-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol with MolForge

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Related Compounds

N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-[(2S)-4-ethylmorpholin-2-yl]methanamine
CID 95326355
N-[[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]-1-[(2S)-4-ethylmorpholin-2-yl]methanamine
CID 95345344
3-[(5-Chloro-1,3-dimethylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol
CID 103731559
1-[1-[(5-Chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2,2,2-trifluoroethanol
CID 112327091
1-[4-[(5-Chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 56802882
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-piperidin-1-ylethanamine
CID 115581275
N-[[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]-3-propan-2-yloxypropan-1-amine
CID 4792453
1-[(5-Chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine
CID 43556694
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methylpiperidin-4-amine
CID 43607098
(3R*,4R*)-4-(1-azepanyl)-1-[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)methyl]-3-piperidinol
CID 45595209
n-((5-Chloro-1,3-dimethyl-1h-pyrazol-4-yl)methyl)-2-methoxyethan-1-amine
CID 47016708
4-[(5-Chloro-1,3-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol
CID 47135988

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-[4-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol (CID 95274203) is (2S)-1-[4-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[4-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[4-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol is Cc1nn(C)c(Cl)c1CNCC1CCN(C[C@H](C)O)CC1.
What is the InChIKey of (2S)-1-[4-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol?
The InChIKey is YBJVKTNPDXLAJM-NSHDSACASA-N. The full InChI is InChI=1S/C15H27ClN4O/c1-11(21)10-20-6-4-13(5-7-20)8-17-9-14-12(2)18-19(3)15(14)16/h11,13,17,21H,4-10H2,1-3H3/t11-/m0/s1.
What are the key properties of (2S)-1-[4-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol?
(2S)-1-[4-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol has a molecular weight of 314.86 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 95274203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).