cis-(1S,2R)-2-[4-(3-methylbutylamino)piperidin-1-yl]cyclohexan-1-ol

C16H32N2O — CID 129401187

IUPACcis-(1S,2R)-2-[4-(3-methylbutylamino)piperidin-1-yl]cyclohexan-1-ol
SMILESCC(C)CCNC1CCN([C@@H]2CCCC[C@@H]2O)CC1
InChIInChI=1S/C16H32N2O/c1-13(2)7-10-17-14-8-11-18(12-9-14)15-5-3-4-6-16(15)19/h13-17,19H,3-12H2,1-2H3/t15-,16+/m1/s1
InChIKeyUGHVEFQBWIHWPZ-CVEARBPZSA-N
MW268.44 g/mol
LogP2.39
Rot. Bonds5

About cis-(1S,2R)-2-[4-(3-methylbutylamino)piperidin-1-yl]cyclohexan-1-ol

cis-(1S,2R)-2-[4-(3-methylbutylamino)piperidin-1-yl]cyclohexan-1-ol (PubChem CID 129401187) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is cis-(1S,2R)-2-[4-(3-methylbutylamino)piperidin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-[4-(3-methylbutylamino)piperidin-1-yl]cyclohexan-1-ol
PubChem CID129401187
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Namecis-(1S,2R)-2-[4-(3-methylbutylamino)piperidin-1-yl]cyclohexan-1-ol
SMILESCC(C)CCNC1CCN([C@@H]2CCCC[C@@H]2O)CC1
InChIInChI=1S/C16H32N2O/c1-13(2)7-10-17-14-8-11-18(12-9-14)15-5-3-4-6-16(15)19/h13-17,19H,3-12H2,1-2H3/t15-,16+/m1/s1
InChIKeyUGHVEFQBWIHWPZ-CVEARBPZSA-N
XLogP2.39
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]cyclohexan-1-ol
CID 55257021
2-[4-(1-aminoethyl)piperidin-1-yl]cyclohexan-1-ol
CID 63595035
2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]cyclohexan-1-ol
CID 55256824
2-[4-(4-pyrazol-1-ylbutan-2-ylamino)piperidin-1-yl]cyclohexan-1-ol
CID 110013412
trans-(1R,2R)-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 10103566
cis-(1S,2R)-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 23656399
cis-(1R,2S)-2-[4-[[(1S)-1-thiophen-2-ylethyl]amino]piperidin-1-yl]cyclohexan-1-ol
CID 129432736
1-cyclohexyl-N-(3-methylbutyl)piperidin-3-amine
CID 83995937
2-[4-[(2-ethylcyclohexyl)amino]piperidin-1-yl]cyclohexan-1-ol
CID 110017308
trans-(1R,2R)-2-[4-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol
CID 124726359
2-[(1R)-1-[[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]amino]propyl]phenol
CID 99702928
cis-(1R,2S)-2-piperidin-1-ylcyclododecan-1-ol
CID 124555057

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[4-(3-methylbutylamino)piperidin-1-yl]cyclohexan-1-ol?
The IUPAC name of cis-(1S,2R)-2-[4-(3-methylbutylamino)piperidin-1-yl]cyclohexan-1-ol (CID 129401187) is cis-(1S,2R)-2-[4-(3-methylbutylamino)piperidin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-[4-(3-methylbutylamino)piperidin-1-yl]cyclohexan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-[4-(3-methylbutylamino)piperidin-1-yl]cyclohexan-1-ol is CC(C)CCNC1CCN([C@@H]2CCCC[C@@H]2O)CC1.
What is the InChIKey of cis-(1S,2R)-2-[4-(3-methylbutylamino)piperidin-1-yl]cyclohexan-1-ol?
The InChIKey is UGHVEFQBWIHWPZ-CVEARBPZSA-N. The full InChI is InChI=1S/C16H32N2O/c1-13(2)7-10-17-14-8-11-18(12-9-14)15-5-3-4-6-16(15)19/h13-17,19H,3-12H2,1-2H3/t15-,16+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[4-(3-methylbutylamino)piperidin-1-yl]cyclohexan-1-ol?
cis-(1S,2R)-2-[4-(3-methylbutylamino)piperidin-1-yl]cyclohexan-1-ol has a molecular weight of 268.44 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[4-(3-methylbutylamino)piperidin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 129401187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).