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

C19H29N5O — CID 25289228

IUPAC(3R,4R)-4-[methyl(2-pyridin-2-ylethyl)amino]-1-(3-pyrazol-1-ylpropyl)piperidin-3-ol
SMILESCN(CCc1ccccn1)[C@@H]1CCN(CCCn2cccn2)C[C@H]1O
InChIInChI=1S/C19H29N5O/c1-22(14-7-17-6-2-3-9-20-17)18-8-15-23(16-19(18)25)11-5-13-24-12-4-10-21-24/h2-4,6,9-10,12,18-19,25H,5,7-8,11,13-16H2,1H3/t18-,19-/m1/s1
InChIKeyIYIKAMVNEHMQQO-RTBURBONSA-N
MW343.47 g/mol
LogP1.28
Rot. Bonds8

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

(3R,4R)-4-[methyl(2-pyridin-2-ylethyl)amino]-1-(3-pyrazol-1-ylpropyl)piperidin-3-ol (PubChem CID 25289228) has the molecular formula C19H29N5O and a molecular weight of 343.47 g/mol. Its IUPAC name is (3R,4R)-4-[methyl(2-pyridin-2-ylethyl)amino]-1-(3-pyrazol-1-ylpropyl)piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-[methyl(2-pyridin-2-ylethyl)amino]-1-(3-pyrazol-1-ylpropyl)piperidin-3-ol
PubChem CID25289228
Molecular FormulaC19H29N5O
Molecular Weight343.47 g/mol
Exact Mass343.24
IUPAC Name(3R,4R)-4-[methyl(2-pyridin-2-ylethyl)amino]-1-(3-pyrazol-1-ylpropyl)piperidin-3-ol
SMILESCN(CCc1ccccn1)[C@@H]1CCN(CCCn2cccn2)C[C@H]1O
InChIInChI=1S/C19H29N5O/c1-22(14-7-17-6-2-3-9-20-17)18-8-15-23(16-19(18)25)11-5-13-24-12-4-10-21-24/h2-4,6,9-10,12,18-19,25H,5,7-8,11,13-16H2,1H3/t18-,19-/m1/s1
InChIKeyIYIKAMVNEHMQQO-RTBURBONSA-N
XLogP1.28
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R,4R)-4-[methyl(2-pyridin-2-ylethyl)amino]-1-(3-pyrazol-1-ylpropyl)piperidin-3-ol with MolForge

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Related Compounds

(3R,4R)-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-3-ol
CID 29022232
(3R,4R)-1-[(5-cyclopentylthiophen-2-yl)methyl]-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-3-ol
CID 42099218
(3R,4R)-1-(1,3-benzodioxol-4-ylmethyl)-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-3-ol
CID 56853923
tert-butyl N-methyl-N-[1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]carbamate
CID 71977139
1-N-methyl-1-N-(2-pyridin-2-ylethyl)cyclopentane-1,2-diamine
CID 43211466
1-(2-pyridin-2-ylethyl)piperidine-3,4,5-triol
CID 157038979
2-[methyl(2-pyridin-2-ylethyl)amino]cyclopropane-1-carboxylic acid
CID 117042811
1-ethyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-N-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 77086023
2-methyl-1-(3-pyrazol-1-ylpropyl)-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111193105
N-benzyl-N-methyl-1-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 171910751
(3R,4S)-N,N-dimethyl-4-propan-2-yl-1-(3-pyrazol-1-ylpropyl)pyrrolidin-3-amine;dihydrochloride
CID 154897766
1-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 134703010

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[methyl(2-pyridin-2-ylethyl)amino]-1-(3-pyrazol-1-ylpropyl)piperidin-3-ol?
The IUPAC name of (3R,4R)-4-[methyl(2-pyridin-2-ylethyl)amino]-1-(3-pyrazol-1-ylpropyl)piperidin-3-ol (CID 25289228) is (3R,4R)-4-[methyl(2-pyridin-2-ylethyl)amino]-1-(3-pyrazol-1-ylpropyl)piperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-[methyl(2-pyridin-2-ylethyl)amino]-1-(3-pyrazol-1-ylpropyl)piperidin-3-ol?
The canonical SMILES for (3R,4R)-4-[methyl(2-pyridin-2-ylethyl)amino]-1-(3-pyrazol-1-ylpropyl)piperidin-3-ol is CN(CCc1ccccn1)[C@@H]1CCN(CCCn2cccn2)C[C@H]1O.
What is the InChIKey of (3R,4R)-4-[methyl(2-pyridin-2-ylethyl)amino]-1-(3-pyrazol-1-ylpropyl)piperidin-3-ol?
The InChIKey is IYIKAMVNEHMQQO-RTBURBONSA-N. The full InChI is InChI=1S/C19H29N5O/c1-22(14-7-17-6-2-3-9-20-17)18-8-15-23(16-19(18)25)11-5-13-24-12-4-10-21-24/h2-4,6,9-10,12,18-19,25H,5,7-8,11,13-16H2,1H3/t18-,19-/m1/s1.
What are the key properties of (3R,4R)-4-[methyl(2-pyridin-2-ylethyl)amino]-1-(3-pyrazol-1-ylpropyl)piperidin-3-ol?
(3R,4R)-4-[methyl(2-pyridin-2-ylethyl)amino]-1-(3-pyrazol-1-ylpropyl)piperidin-3-ol has a molecular weight of 343.47 g/mol, XLogP of 1.28, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[methyl(2-pyridin-2-ylethyl)amino]-1-(3-pyrazol-1-ylpropyl)piperidin-3-ol is sourced from PubChem (CID 25289228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).