(1R)-1-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pentan-1-ol

C16H29N3O — CID 95111652

IUPAC(1R)-1-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pentan-1-ol
SMILESCCCC[C@@H](O)C1CCN(Cc2cnn(CC)c2)CC1
InChIInChI=1S/C16H29N3O/c1-3-5-6-16(20)15-7-9-18(10-8-15)12-14-11-17-19(4-2)13-14/h11,13,15-16,20H,3-10,12H2,1-2H3/t16-/m1/s1
InChIKeyIBVRZGGQIJQSSB-MRXNPFEDSA-N
MW279.43 g/mol
LogP2.67
Rot. Bonds7

About (1R)-1-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pentan-1-ol

(1R)-1-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pentan-1-ol (PubChem CID 95111652) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is (1R)-1-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pentan-1-ol.

Molecular Properties

Compound Name(1R)-1-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pentan-1-ol
PubChem CID95111652
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name(1R)-1-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pentan-1-ol
SMILESCCCC[C@@H](O)C1CCN(Cc2cnn(CC)c2)CC1
InChIInChI=1S/C16H29N3O/c1-3-5-6-16(20)15-7-9-18(10-8-15)12-14-11-17-19(4-2)13-14/h11,13,15-16,20H,3-10,12H2,1-2H3/t16-/m1/s1
InChIKeyIBVRZGGQIJQSSB-MRXNPFEDSA-N
XLogP2.67
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-1-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115883006
N-[[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 62592588
2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]ethanamine
CID 62126920
1-[(1-ethylpyrazol-4-yl)methyl]-N,3-dimethylpiperidin-4-amine
CID 114499054
4-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-1-(2-methylpropyl)piperidine
CID 26317491
(3R,4R)-4-(azepan-1-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-ol
CID 46988813
1-[(1-ethylpyrazol-4-yl)methyl]-4-methylpiperidin-4-ol
CID 81114923
2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanethioamide
CID 63336434
N-[(1-ethylpyrazol-4-yl)methyl]-4-(1-hydroxy-3-phenylpropyl)piperidine-1-carboxamide
CID 121495483
N-[(1-ethylpyrazol-4-yl)methyl]-4-[(1S)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide
CID 126424800
3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-methylpropan-1-amine
CID 55041230
1-ethyl-4-[[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]pyrazole
CID 124978097

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pentan-1-ol?
The IUPAC name of (1R)-1-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pentan-1-ol (CID 95111652) is (1R)-1-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pentan-1-ol.
What is the SMILES notation for (1R)-1-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pentan-1-ol?
The canonical SMILES for (1R)-1-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pentan-1-ol is CCCC[C@@H](O)C1CCN(Cc2cnn(CC)c2)CC1.
What is the InChIKey of (1R)-1-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pentan-1-ol?
The InChIKey is IBVRZGGQIJQSSB-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H29N3O/c1-3-5-6-16(20)15-7-9-18(10-8-15)12-14-11-17-19(4-2)13-14/h11,13,15-16,20H,3-10,12H2,1-2H3/t16-/m1/s1.
What are the key properties of (1R)-1-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pentan-1-ol?
(1R)-1-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pentan-1-ol has a molecular weight of 279.43 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pentan-1-ol is sourced from PubChem (CID 95111652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).