(3R,4R)-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-3-ol

C21H33N5O — CID 29022232

IUPAC(3R,4R)-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-3-ol
SMILESCCCn1cc(CN2CC[C@@H](N(C)CCc3ccccn3)[C@H](O)C2)c(C)n1
InChIInChI=1S/C21H33N5O/c1-4-11-26-15-18(17(2)23-26)14-25-13-9-20(21(27)16-25)24(3)12-8-19-7-5-6-10-22-19/h5-7,10,15,20-21,27H,4,8-9,11-14,16H2,1-3H3/t20-,21-/m1/s1
InChIKeyVBUWWPDRGKIRNH-NHCUHLMSSA-N
MW371.53 g/mol
LogP2.11
Rot. Bonds8

About (3R,4R)-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-3-ol

(3R,4R)-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-3-ol (PubChem CID 29022232) has the molecular formula C21H33N5O and a molecular weight of 371.53 g/mol. Its IUPAC name is (3R,4R)-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-3-ol
PubChem CID29022232
Molecular FormulaC21H33N5O
Molecular Weight371.53 g/mol
Exact Mass371.27
IUPAC Name(3R,4R)-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-3-ol
SMILESCCCn1cc(CN2CC[C@@H](N(C)CCc3ccccn3)[C@H](O)C2)c(C)n1
InChIInChI=1S/C21H33N5O/c1-4-11-26-15-18(17(2)23-26)14-25-13-9-20(21(27)16-25)24(3)12-8-19-7-5-6-10-22-19/h5-7,10,15,20-21,27H,4,8-9,11-14,16H2,1-3H3/t20-,21-/m1/s1
InChIKeyVBUWWPDRGKIRNH-NHCUHLMSSA-N
XLogP2.11
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,4R)-4-[methyl(2-pyridin-2-ylethyl)amino]-1-(3-pyrazol-1-ylpropyl)piperidin-3-ol
CID 25289228
(3R,4R)-1-(1,3-benzodioxol-4-ylmethyl)-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-3-ol
CID 56853923
(3R,4R)-1-[(5-cyclopentylthiophen-2-yl)methyl]-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-3-ol
CID 42099218
N-[(3R,4R)-1-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-hydroxypyrrolidin-3-yl]pyridine-2-carboxamide
CID 110118777
N-ethyl-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine
CID 45190430
2-N-methyl-4-propyl-2-N-(2-pyridin-2-ylethyl)cyclohexane-1,2-diamine
CID 60916986
1,3-benzodioxol-5-yl-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]methanone
CID 24792971
1-(2-methoxyphenyl)-4-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine
CID 45217219
1-N-methyl-1-N-(2-pyridin-2-ylethyl)cyclopentane-1,2-diamine
CID 43211466
N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-[methyl(methylsulfonyl)amino]propanamide
CID 91837997
1-(2-pyridin-2-ylethyl)piperidine-3,4,5-triol
CID 157038979
N-(1-ethylpiperidin-4-yl)-4-methyl-N-(2-pyridin-2-ylethyl)-1,2,5-thiadiazole-3-carboxamide
CID 138810100

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-3-ol?
The IUPAC name of (3R,4R)-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-3-ol (CID 29022232) is (3R,4R)-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-3-ol.
What is the SMILES notation for (3R,4R)-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-3-ol?
The canonical SMILES for (3R,4R)-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-3-ol is CCCn1cc(CN2CC[C@@H](N(C)CCc3ccccn3)[C@H](O)C2)c(C)n1.
What is the InChIKey of (3R,4R)-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-3-ol?
The InChIKey is VBUWWPDRGKIRNH-NHCUHLMSSA-N. The full InChI is InChI=1S/C21H33N5O/c1-4-11-26-15-18(17(2)23-26)14-25-13-9-20(21(27)16-25)24(3)12-8-19-7-5-6-10-22-19/h5-7,10,15,20-21,27H,4,8-9,11-14,16H2,1-3H3/t20-,21-/m1/s1.
What are the key properties of (3R,4R)-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-3-ol?
(3R,4R)-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-3-ol has a molecular weight of 371.53 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-3-ol is sourced from PubChem (CID 29022232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).