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

C15H31N3O — CID 19846051

IUPAC4-[[[1-(2-aminoethyl)piperidin-2-yl]methylamino]methyl]cyclohexan-1-ol
SMILESNCCN1CCCCC1CNCC1CCC(O)CC1
InChIInChI=1S/C15H31N3O/c16-8-10-18-9-2-1-3-14(18)12-17-11-13-4-6-15(19)7-5-13/h13-15,17,19H,1-12,16H2
InChIKeyIYCRIRXXMRTZQX-UHFFFAOYSA-N
MW269.43 g/mol
LogP0.94
Rot. Bonds6

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

4-[[[1-(2-aminoethyl)piperidin-2-yl]methylamino]methyl]cyclohexan-1-ol (PubChem CID 19846051) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 4-[[[1-(2-aminoethyl)piperidin-2-yl]methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[[1-(2-aminoethyl)piperidin-2-yl]methylamino]methyl]cyclohexan-1-ol
PubChem CID19846051
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name4-[[[1-(2-aminoethyl)piperidin-2-yl]methylamino]methyl]cyclohexan-1-ol
SMILESNCCN1CCCCC1CNCC1CCC(O)CC1
InChIInChI=1S/C15H31N3O/c16-8-10-18-9-2-1-3-14(18)12-17-11-13-4-6-15(19)7-5-13/h13-15,17,19H,1-12,16H2
InChIKeyIYCRIRXXMRTZQX-UHFFFAOYSA-N
XLogP0.94
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[[1-(2-aminoethyl)piperidin-2-yl]methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[[1-(2-aminoethyl)piperidin-2-yl]methylamino]methyl]cyclohexan-1-ol (CID 19846051) is 4-[[[1-(2-aminoethyl)piperidin-2-yl]methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[[1-(2-aminoethyl)piperidin-2-yl]methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[[1-(2-aminoethyl)piperidin-2-yl]methylamino]methyl]cyclohexan-1-ol is NCCN1CCCCC1CNCC1CCC(O)CC1.
What is the InChIKey of 4-[[[1-(2-aminoethyl)piperidin-2-yl]methylamino]methyl]cyclohexan-1-ol?
The InChIKey is IYCRIRXXMRTZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c16-8-10-18-9-2-1-3-14(18)12-17-11-13-4-6-15(19)7-5-13/h13-15,17,19H,1-12,16H2.
What are the key properties of 4-[[[1-(2-aminoethyl)piperidin-2-yl]methylamino]methyl]cyclohexan-1-ol?
4-[[[1-(2-aminoethyl)piperidin-2-yl]methylamino]methyl]cyclohexan-1-ol has a molecular weight of 269.43 g/mol, XLogP of 0.94, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[1-(2-aminoethyl)piperidin-2-yl]methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 19846051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).