(3S,4R)-1-methyl-3-[[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]methyl]piperidin-4-ol

C15H28N4O — CID 28732563

IUPAC(3S,4R)-1-methyl-3-[[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]methyl]piperidin-4-ol
SMILESCC(C)N(Cc1cnn(C)c1)C[C@@H]1CN(C)CC[C@H]1O
InChIInChI=1S/C15H28N4O/c1-12(2)19(9-13-7-16-18(4)8-13)11-14-10-17(3)6-5-15(14)20/h7-8,12,14-15,20H,5-6,9-11H2,1-4H3/t14-,15+/m0/s1
InChIKeyBFWAEQRHGISHFW-LSDHHAIUSA-N
MW280.42 g/mol
LogP0.94
Rot. Bonds5

About (3S,4R)-1-methyl-3-[[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]methyl]piperidin-4-ol

(3S,4R)-1-methyl-3-[[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]methyl]piperidin-4-ol (PubChem CID 28732563) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is (3S,4R)-1-methyl-3-[[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]methyl]piperidin-4-ol.

Molecular Properties

Compound Name(3S,4R)-1-methyl-3-[[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]methyl]piperidin-4-ol
PubChem CID28732563
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name(3S,4R)-1-methyl-3-[[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]methyl]piperidin-4-ol
SMILESCC(C)N(Cc1cnn(C)c1)C[C@@H]1CN(C)CC[C@H]1O
InChIInChI=1S/C15H28N4O/c1-12(2)19(9-13-7-16-18(4)8-13)11-14-10-17(3)6-5-15(14)20/h7-8,12,14-15,20H,5-6,9-11H2,1-4H3/t14-,15+/m0/s1
InChIKeyBFWAEQRHGISHFW-LSDHHAIUSA-N
XLogP0.94
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S,4R)-1-methyl-3-[[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]methyl]piperidin-4-ol with MolForge

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Related Compounds

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CID 62703993
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N-cyclopropyl-2-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 119060916
N'-hydroxy-3-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]propanimidamide
CID 62126180
1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 121407190
2-[4-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]pyrazol-1-yl]ethanol
CID 79715642
N-[(1-methylpyrazol-4-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60855406
2-[[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]methyl]pyridin-3-ol
CID 29029305
(4S)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-pyrrolidin-1-ylpentanamide
CID 126426485
N-[(1-methylpyrazol-4-yl)methyl]-N-[2-[(R)-phenylsulfinyl]ethyl]propan-2-amine
CID 95323085
4,4-dimethyl-1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentan-3-ol
CID 62625333
N-[(1-methylindol-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine
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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-methyl-3-[[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]methyl]piperidin-4-ol?
The IUPAC name of (3S,4R)-1-methyl-3-[[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]methyl]piperidin-4-ol (CID 28732563) is (3S,4R)-1-methyl-3-[[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]methyl]piperidin-4-ol.
What is the SMILES notation for (3S,4R)-1-methyl-3-[[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]methyl]piperidin-4-ol?
The canonical SMILES for (3S,4R)-1-methyl-3-[[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]methyl]piperidin-4-ol is CC(C)N(Cc1cnn(C)c1)C[C@@H]1CN(C)CC[C@H]1O.
What is the InChIKey of (3S,4R)-1-methyl-3-[[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]methyl]piperidin-4-ol?
The InChIKey is BFWAEQRHGISHFW-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H28N4O/c1-12(2)19(9-13-7-16-18(4)8-13)11-14-10-17(3)6-5-15(14)20/h7-8,12,14-15,20H,5-6,9-11H2,1-4H3/t14-,15+/m0/s1.
What are the key properties of (3S,4R)-1-methyl-3-[[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]methyl]piperidin-4-ol?
(3S,4R)-1-methyl-3-[[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]methyl]piperidin-4-ol has a molecular weight of 280.42 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-methyl-3-[[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]methyl]piperidin-4-ol is sourced from PubChem (CID 28732563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).