(3R,4R)-4-(azepan-1-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-ol

C17H30N4O — CID 46988813

IUPAC(3R,4R)-4-(azepan-1-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-ol
SMILESCCn1cc(CN2CC[C@@H](N3CCCCCC3)[C@H](O)C2)cn1
InChIInChI=1S/C17H30N4O/c1-2-21-13-15(11-18-21)12-19-10-7-16(17(22)14-19)20-8-5-3-4-6-9-20/h11,13,16-17,22H,2-10,12,14H2,1H3/t16-,17-/m1/s1
InChIKeyHEZAXOKANOBSKV-IAGOWNOFSA-N
MW306.45 g/mol
LogP1.71
Rot. Bonds4

About (3R,4R)-4-(azepan-1-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-ol

(3R,4R)-4-(azepan-1-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-ol (PubChem CID 46988813) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is (3R,4R)-4-(azepan-1-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(azepan-1-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-ol
PubChem CID46988813
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name(3R,4R)-4-(azepan-1-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-ol
SMILESCCn1cc(CN2CC[C@@H](N3CCCCCC3)[C@H](O)C2)cn1
InChIInChI=1S/C17H30N4O/c1-2-21-13-15(11-18-21)12-19-10-7-16(17(22)14-19)20-8-5-3-4-6-9-20/h11,13,16-17,22H,2-10,12,14H2,1H3/t16-,17-/m1/s1
InChIKeyHEZAXOKANOBSKV-IAGOWNOFSA-N
XLogP1.71
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R,4R)-4-(azepan-1-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-ol with MolForge

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Launch Full Analysis

Related Compounds

1-benzyl-4-piperidin-1-ylpiperidin-3-ol
CID 67311835
2-[1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115883006
(3R,4R)-1-benzyl-4-pyrrolidin-1-ylpiperidin-3-ol
CID 67310310
3-[4-[[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]methyl]pyrazol-1-yl]propanoic acid
CID 74248676
(3R,4R)-4-(azepan-1-yl)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-ol
CID 28956428
1-[(1-ethylpyrazol-4-yl)methyl]-N,3-dimethylpiperidin-4-amine
CID 114499054
(3R,4R)-4-(azepan-1-yl)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-3-ol
CID 56853466
N-[4-[[(3S,4S)-4-(azepan-1-yl)-3-hydroxypiperidin-1-yl]methyl]phenyl]acetamide
CID 133133229
4-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-1-(2-methylpropyl)piperidine
CID 26317491
(1R)-1-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pentan-1-ol
CID 95111652
3-(2-chloroethyl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine
CID 55183859
(3R,4R)-4-(azepan-1-yl)-1-[(3-chloro-4-ethoxyphenyl)methyl]piperidin-3-ol
CID 25454792

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(azepan-1-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-ol?
The IUPAC name of (3R,4R)-4-(azepan-1-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-ol (CID 46988813) is (3R,4R)-4-(azepan-1-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-(azepan-1-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-ol?
The canonical SMILES for (3R,4R)-4-(azepan-1-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-ol is CCn1cc(CN2CC[C@@H](N3CCCCCC3)[C@H](O)C2)cn1.
What is the InChIKey of (3R,4R)-4-(azepan-1-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-ol?
The InChIKey is HEZAXOKANOBSKV-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H30N4O/c1-2-21-13-15(11-18-21)12-19-10-7-16(17(22)14-19)20-8-5-3-4-6-9-20/h11,13,16-17,22H,2-10,12,14H2,1H3/t16-,17-/m1/s1.
What are the key properties of (3R,4R)-4-(azepan-1-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-ol?
(3R,4R)-4-(azepan-1-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-ol has a molecular weight of 306.45 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(azepan-1-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 46988813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).