1-[3-[(1-ethylpyrazol-3-yl)methylamino]propyl]piperidin-3-ol

C14H26N4O — CID 131942823

IUPAC1-[3-[(1-ethylpyrazol-3-yl)methylamino]propyl]piperidin-3-ol
SMILESCCn1ccc(CNCCCN2CCCC(O)C2)n1
InChIInChI=1S/C14H26N4O/c1-2-18-10-6-13(16-18)11-15-7-4-9-17-8-3-5-14(19)12-17/h6,10,14-15,19H,2-5,7-9,11-12H2,1H3
InChIKeyNNADGUWIJUWCPD-UHFFFAOYSA-N
MW266.39 g/mol
LogP0.84
Rot. Bonds7

About 1-[3-[(1-ethylpyrazol-3-yl)methylamino]propyl]piperidin-3-ol

1-[3-[(1-ethylpyrazol-3-yl)methylamino]propyl]piperidin-3-ol (PubChem CID 131942823) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-[3-[(1-ethylpyrazol-3-yl)methylamino]propyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[3-[(1-ethylpyrazol-3-yl)methylamino]propyl]piperidin-3-ol
PubChem CID131942823
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name1-[3-[(1-ethylpyrazol-3-yl)methylamino]propyl]piperidin-3-ol
SMILESCCn1ccc(CNCCCN2CCCC(O)C2)n1
InChIInChI=1S/C14H26N4O/c1-2-18-10-6-13(16-18)11-15-7-4-9-17-8-3-5-14(19)12-17/h6,10,14-15,19H,2-5,7-9,11-12H2,1H3
InChIKeyNNADGUWIJUWCPD-UHFFFAOYSA-N
XLogP0.84
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-ethylpyrazol-3-yl)methyl]pentan-1-amine;hydrochloride
CID 126968027
1-[3-(propylamino)propyl]pyrrolidin-3-ol
CID 62942273
(3R)-1-[3-(pentan-3-ylamino)propyl]piperidin-3-ol
CID 95120625
1-[3-[(4-ethylphenyl)methylamino]propyl]piperidin-4-ol
CID 110906462
N-[3-(3-hydroxypiperidin-1-yl)propyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 131895752
N-[(1-ethylpyrazol-3-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 124932139
1-ethyl-1-[(4-ethylphenyl)methyl]-3-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]urea
CID 126441274
1-[3-[(4-methylphthalazin-1-yl)amino]propyl]piperidin-3-ol
CID 131914653
1-[3-[2-[3-(2-methylpyrrolidin-1-yl)propylamino]ethylamino]propyl]pyrrolidin-3-ol
CID 143268117
N-[(1-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 78920944
1-[3-[(1-ethylpyrazol-3-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 131892234
N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine
CID 64777182

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1-ethylpyrazol-3-yl)methylamino]propyl]piperidin-3-ol?
The IUPAC name of 1-[3-[(1-ethylpyrazol-3-yl)methylamino]propyl]piperidin-3-ol (CID 131942823) is 1-[3-[(1-ethylpyrazol-3-yl)methylamino]propyl]piperidin-3-ol.
What is the SMILES notation for 1-[3-[(1-ethylpyrazol-3-yl)methylamino]propyl]piperidin-3-ol?
The canonical SMILES for 1-[3-[(1-ethylpyrazol-3-yl)methylamino]propyl]piperidin-3-ol is CCn1ccc(CNCCCN2CCCC(O)C2)n1.
What is the InChIKey of 1-[3-[(1-ethylpyrazol-3-yl)methylamino]propyl]piperidin-3-ol?
The InChIKey is NNADGUWIJUWCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-2-18-10-6-13(16-18)11-15-7-4-9-17-8-3-5-14(19)12-17/h6,10,14-15,19H,2-5,7-9,11-12H2,1H3.
What are the key properties of 1-[3-[(1-ethylpyrazol-3-yl)methylamino]propyl]piperidin-3-ol?
1-[3-[(1-ethylpyrazol-3-yl)methylamino]propyl]piperidin-3-ol has a molecular weight of 266.39 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1-ethylpyrazol-3-yl)methylamino]propyl]piperidin-3-ol is sourced from PubChem (CID 131942823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).