2-[4-(4-pyrazol-1-ylbutan-2-ylamino)piperidin-1-yl]cyclohexan-1-ol

C18H32N4O — CID 110013412

IUPAC2-[4-(4-pyrazol-1-ylbutan-2-ylamino)piperidin-1-yl]cyclohexan-1-ol
SMILESCC(CCn1cccn1)NC1CCN(C2CCCCC2O)CC1
InChIInChI=1S/C18H32N4O/c1-15(7-14-22-11-4-10-19-22)20-16-8-12-21(13-9-16)17-5-2-3-6-18(17)23/h4,10-11,15-18,20,23H,2-3,5-9,12-14H2,1H3
InChIKeyBIRPGFNREULFLC-UHFFFAOYSA-N
MW320.48 g/mol
LogP2.02
Rot. Bonds6

About 2-[4-(4-pyrazol-1-ylbutan-2-ylamino)piperidin-1-yl]cyclohexan-1-ol

2-[4-(4-pyrazol-1-ylbutan-2-ylamino)piperidin-1-yl]cyclohexan-1-ol (PubChem CID 110013412) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is 2-[4-(4-pyrazol-1-ylbutan-2-ylamino)piperidin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[4-(4-pyrazol-1-ylbutan-2-ylamino)piperidin-1-yl]cyclohexan-1-ol
PubChem CID110013412
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC Name2-[4-(4-pyrazol-1-ylbutan-2-ylamino)piperidin-1-yl]cyclohexan-1-ol
SMILESCC(CCn1cccn1)NC1CCN(C2CCCCC2O)CC1
InChIInChI=1S/C18H32N4O/c1-15(7-14-22-11-4-10-19-22)20-16-8-12-21(13-9-16)17-5-2-3-6-18(17)23/h4,10-11,15-18,20,23H,2-3,5-9,12-14H2,1H3
InChIKeyBIRPGFNREULFLC-UHFFFAOYSA-N
XLogP2.02
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-pyrazol-1-ylbutan-2-yl)cyclohexanamine
CID 86784746
N-(4-pyrazol-1-ylbutan-2-yl)-1-(4-pyrazol-1-ylphenyl)piperidin-4-amine
CID 46991989
1-(4-imidazol-1-ylphenyl)-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]piperidin-4-amine
CID 95046077
N-(4-pyrazol-1-ylbutan-2-yl)-1-pyridin-2-ylpiperidin-3-amine
CID 75499739
2-[4-(4-pyrazol-1-ylbutan-2-ylamino)phenoxy]cyclohexan-1-ol
CID 110013529
4-(4-pyrazol-1-ylbutan-2-ylamino)oxolan-3-ol
CID 115977930
1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-4-pyrazol-1-ylbutan-1-one
CID 95758850
cis-(1S,2R)-2-[4-(3-methylbutylamino)piperidin-1-yl]cyclohexan-1-ol
CID 129401187
N-(cyclobutylmethyl)-4-pyrazol-1-ylbutan-2-amine
CID 115977534
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111918812
2-[methyl-(1-methylpiperidin-4-yl)amino]-N-(4-pyrazol-1-ylbutan-2-yl)acetamide
CID 91768318
2-[4-[(6-ethyl-2-methylpyrimidin-4-yl)amino]piperidin-1-yl]cyclohexan-1-ol
CID 133472742

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-pyrazol-1-ylbutan-2-ylamino)piperidin-1-yl]cyclohexan-1-ol?
The IUPAC name of 2-[4-(4-pyrazol-1-ylbutan-2-ylamino)piperidin-1-yl]cyclohexan-1-ol (CID 110013412) is 2-[4-(4-pyrazol-1-ylbutan-2-ylamino)piperidin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[4-(4-pyrazol-1-ylbutan-2-ylamino)piperidin-1-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[4-(4-pyrazol-1-ylbutan-2-ylamino)piperidin-1-yl]cyclohexan-1-ol is CC(CCn1cccn1)NC1CCN(C2CCCCC2O)CC1.
What is the InChIKey of 2-[4-(4-pyrazol-1-ylbutan-2-ylamino)piperidin-1-yl]cyclohexan-1-ol?
The InChIKey is BIRPGFNREULFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O/c1-15(7-14-22-11-4-10-19-22)20-16-8-12-21(13-9-16)17-5-2-3-6-18(17)23/h4,10-11,15-18,20,23H,2-3,5-9,12-14H2,1H3.
What are the key properties of 2-[4-(4-pyrazol-1-ylbutan-2-ylamino)piperidin-1-yl]cyclohexan-1-ol?
2-[4-(4-pyrazol-1-ylbutan-2-ylamino)piperidin-1-yl]cyclohexan-1-ol has a molecular weight of 320.48 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-pyrazol-1-ylbutan-2-ylamino)piperidin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 110013412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).