2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]cyclohexan-1-ol

C15H30N2O — CID 55256824

IUPAC2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]cyclohexan-1-ol
SMILESCC(C)NCC1CCN(C2CCCCC2O)CC1
InChIInChI=1S/C15H30N2O/c1-12(2)16-11-13-7-9-17(10-8-13)14-5-3-4-6-15(14)18/h12-16,18H,3-11H2,1-2H3
InChIKeyKNXKKIXKAYKSAP-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.00
Rot. Bonds4

About 2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]cyclohexan-1-ol

2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]cyclohexan-1-ol (PubChem CID 55256824) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]cyclohexan-1-ol
PubChem CID55256824
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]cyclohexan-1-ol
SMILESCC(C)NCC1CCN(C2CCCCC2O)CC1
InChIInChI=1S/C15H30N2O/c1-12(2)16-11-13-7-9-17(10-8-13)14-5-3-4-6-15(14)18/h12-16,18H,3-11H2,1-2H3
InChIKeyKNXKKIXKAYKSAP-UHFFFAOYSA-N
XLogP2.00
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.00
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
N-[(1-cyclopentylpiperidin-4-yl)methyl]propan-2-amine
CID 63847367
N-[(1-cycloheptylpiperidin-4-yl)methyl]propan-2-amine
CID 82925346
methyl 2-[1-(2-hydroxycyclohexyl)piperidin-4-yl]acetate
CID 75434367
2-[3-(methylaminomethyl)pyrrolidin-1-yl]cyclohexan-1-ol
CID 63267923
2-(4-propylpiperidin-1-yl)cycloheptan-1-ol
CID 62205599
2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclohexan-1-ol
CID 63009475
2-[4-(1-aminoethyl)piperidin-1-yl]cyclohexan-1-ol
CID 63595035
cis-(1R,2S)-2-(4-aminopiperidin-1-yl)cyclohexan-1-ol
CID 93346127
cis-(1S,2R)-2-[4-(3-methylbutylamino)piperidin-1-yl]cyclohexan-1-ol
CID 129401187
cis-(1S,2R)-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 23656399
trans-(1R,2R)-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 10103566

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]cyclohexan-1-ol?
The IUPAC name of 2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]cyclohexan-1-ol (CID 55256824) is 2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]cyclohexan-1-ol is CC(C)NCC1CCN(C2CCCCC2O)CC1.
What is the InChIKey of 2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]cyclohexan-1-ol?
The InChIKey is KNXKKIXKAYKSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-12(2)16-11-13-7-9-17(10-8-13)14-5-3-4-6-15(14)18/h12-16,18H,3-11H2,1-2H3.
What are the key properties of 2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]cyclohexan-1-ol?
2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]cyclohexan-1-ol has a molecular weight of 254.42 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 55256824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).