N-[(2-ethylpyrazol-3-yl)methyl]-1-(oxolan-3-yl)piperidin-4-amine

C15H26N4O — CID 126835878

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-1-(oxolan-3-yl)piperidin-4-amine
SMILESCCn1nccc1CNC1CCN(C2CCOC2)CC1
InChIInChI=1S/C15H26N4O/c1-2-19-14(3-7-17-19)11-16-13-4-8-18(9-5-13)15-6-10-20-12-15/h3,7,13,15-16H,2,4-6,8-12H2,1H3
InChIKeyKEQQHIKEKHCBOC-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.25
Rot. Bonds5

About N-[(2-ethylpyrazol-3-yl)methyl]-1-(oxolan-3-yl)piperidin-4-amine

N-[(2-ethylpyrazol-3-yl)methyl]-1-(oxolan-3-yl)piperidin-4-amine (PubChem CID 126835878) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-1-(oxolan-3-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-1-(oxolan-3-yl)piperidin-4-amine
PubChem CID126835878
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-1-(oxolan-3-yl)piperidin-4-amine
SMILESCCn1nccc1CNC1CCN(C2CCOC2)CC1
InChIInChI=1S/C15H26N4O/c1-2-19-14(3-7-17-19)11-16-13-4-8-18(9-5-13)15-6-10-20-12-15/h3,7,13,15-16H,2,4-6,8-12H2,1H3
InChIKeyKEQQHIKEKHCBOC-UHFFFAOYSA-N
XLogP1.25
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-ethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 115761672
2-[4-[(2-ethylpyrazol-3-yl)methylamino]piperidin-1-yl]acetamide
CID 115761657
N-[(2-ethylpyrazol-3-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 114555002
1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]piperidin-4-amine
CID 43747132
N-[(2-ethylpyrazol-3-yl)methyl]-1-methylpiperidin-3-amine
CID 115762067
N-[[2-(3-ethoxypropyl)pyrazol-3-yl]methyl]cyclopropanamine
CID 65178386
tert-butyl N-[4-[(2-ethylpyrazol-3-yl)methylamino]cyclohexyl]carbamate
CID 103845092
N-[(2-ethylpyrazol-3-yl)methyl]-3-ethylsulfanylcyclopentan-1-amine
CID 113334912
N-[(2-ethylpyrazol-3-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 115761677
1-cyclopropyl-N-[(2-ethylpyrazol-3-yl)methyl]methanamine
CID 115761680
4-ethyl-N-[(2-propylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 114555631
N-(cyclopropylmethyl)-1-(oxan-3-yl)piperidin-4-amine
CID 115306885

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-1-(oxolan-3-yl)piperidin-4-amine?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-1-(oxolan-3-yl)piperidin-4-amine (CID 126835878) is N-[(2-ethylpyrazol-3-yl)methyl]-1-(oxolan-3-yl)piperidin-4-amine.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-1-(oxolan-3-yl)piperidin-4-amine?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-1-(oxolan-3-yl)piperidin-4-amine is CCn1nccc1CNC1CCN(C2CCOC2)CC1.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-1-(oxolan-3-yl)piperidin-4-amine?
The InChIKey is KEQQHIKEKHCBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-2-19-14(3-7-17-19)11-16-13-4-8-18(9-5-13)15-6-10-20-12-15/h3,7,13,15-16H,2,4-6,8-12H2,1H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-1-(oxolan-3-yl)piperidin-4-amine?
N-[(2-ethylpyrazol-3-yl)methyl]-1-(oxolan-3-yl)piperidin-4-amine has a molecular weight of 278.40 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]-1-(oxolan-3-yl)piperidin-4-amine is sourced from PubChem (CID 126835878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).