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

C16H32N2O — CID 55257021

IUPAC2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]cyclohexan-1-ol
SMILESCC(C)CNCC1CCN(C2CCCCC2O)CC1
InChIInChI=1S/C16H32N2O/c1-13(2)11-17-12-14-7-9-18(10-8-14)15-5-3-4-6-16(15)19/h13-17,19H,3-12H2,1-2H3
InChIKeyLCUSKHRUCOGQBT-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.25
Rot. Bonds5

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

2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]cyclohexan-1-ol (PubChem CID 55257021) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]cyclohexan-1-ol
PubChem CID55257021
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]cyclohexan-1-ol
SMILESCC(C)CNCC1CCN(C2CCCCC2O)CC1
InChIInChI=1S/C16H32N2O/c1-13(2)11-17-12-14-7-9-18(10-8-14)15-5-3-4-6-16(15)19/h13-17,19H,3-12H2,1-2H3
InChIKeyLCUSKHRUCOGQBT-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]cyclohexan-1-ol?
The IUPAC name of 2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]cyclohexan-1-ol (CID 55257021) is 2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]cyclohexan-1-ol is CC(C)CNCC1CCN(C2CCCCC2O)CC1.
What is the InChIKey of 2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]cyclohexan-1-ol?
The InChIKey is LCUSKHRUCOGQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-13(2)11-17-12-14-7-9-18(10-8-14)15-5-3-4-6-16(15)19/h13-17,19H,3-12H2,1-2H3.
What are the key properties of 2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]cyclohexan-1-ol?
2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]cyclohexan-1-ol has a molecular weight of 268.44 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 55257021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).