2-[cyclohexylmethyl(piperidin-4-ylmethyl)amino]ethanol;hydrochloride

C15H31ClN2O — CID 120849278

IUPAC2-[cyclohexylmethyl(piperidin-4-ylmethyl)amino]ethanol;hydrochloride
SMILESCl.OCCN(CC1CCCCC1)CC1CCNCC1
InChIInChI=1S/C15H30N2O.ClH/c18-11-10-17(12-14-4-2-1-3-5-14)13-15-6-8-16-9-7-15;/h14-16,18H,1-13H2;1H
InChIKeyANNCQVUFUCVKPI-UHFFFAOYSA-N
MW290.88 g/mol
LogP2.28
Rot. Bonds6

About 2-[cyclohexylmethyl(piperidin-4-ylmethyl)amino]ethanol;hydrochloride

2-[cyclohexylmethyl(piperidin-4-ylmethyl)amino]ethanol;hydrochloride (PubChem CID 120849278) has the molecular formula C15H31ClN2O and a molecular weight of 290.88 g/mol. Its IUPAC name is 2-[cyclohexylmethyl(piperidin-4-ylmethyl)amino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[cyclohexylmethyl(piperidin-4-ylmethyl)amino]ethanol;hydrochloride
PubChem CID120849278
Molecular FormulaC15H31ClN2O
Molecular Weight290.88 g/mol
Exact Mass290.21
IUPAC Name2-[cyclohexylmethyl(piperidin-4-ylmethyl)amino]ethanol;hydrochloride
SMILESCl.OCCN(CC1CCCCC1)CC1CCNCC1
InChIInChI=1S/C15H30N2O.ClH/c18-11-10-17(12-14-4-2-1-3-5-14)13-15-6-8-16-9-7-15;/h14-16,18H,1-13H2;1H
InChIKeyANNCQVUFUCVKPI-UHFFFAOYSA-N
XLogP2.28
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.88
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopentylmethyl(cyclopropylmethyl)amino]ethanol
CID 115593687
1-cyclobutyl-N-(cyclopropylmethyl)-N-(piperidin-4-ylmethyl)methanamine
CID 120858205
3-[cyclobutylmethyl(2-hydroxyethyl)amino]propan-1-ol
CID 68639029
5-[ethyl(piperidin-4-ylmethyl)amino]pentan-1-ol
CID 79716629
2-[2-[ethyl(piperidin-4-ylmethyl)amino]ethoxy]ethanol
CID 79717125
N-methyl-N-(piperidin-4-ylmethyl)cyclohexanamine;hydrochloride
CID 119929256
2-[2,2-difluoroethyl(piperidin-3-ylmethyl)amino]ethanol
CID 107494945
2-[(4R)-azepan-4-yl]ethanol
CID 98601299
7-[bis(cyclopentylmethyl)amino]hept-4-en-1-ol
CID 123172681
2-[N-(piperidin-4-ylmethyl)anilino]ethanol
CID 119929310
2-[(1-ethylpyrazol-4-yl)methyl-(piperidin-4-ylmethyl)amino]ethanol
CID 120858173
N,N-dimethyl-1-piperidin-4-ylmethanamine;dihydrochloride
CID 23153381

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexylmethyl(piperidin-4-ylmethyl)amino]ethanol;hydrochloride?
The IUPAC name of 2-[cyclohexylmethyl(piperidin-4-ylmethyl)amino]ethanol;hydrochloride (CID 120849278) is 2-[cyclohexylmethyl(piperidin-4-ylmethyl)amino]ethanol;hydrochloride.
What is the SMILES notation for 2-[cyclohexylmethyl(piperidin-4-ylmethyl)amino]ethanol;hydrochloride?
The canonical SMILES for 2-[cyclohexylmethyl(piperidin-4-ylmethyl)amino]ethanol;hydrochloride is Cl.OCCN(CC1CCCCC1)CC1CCNCC1.
What is the InChIKey of 2-[cyclohexylmethyl(piperidin-4-ylmethyl)amino]ethanol;hydrochloride?
The InChIKey is ANNCQVUFUCVKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O.ClH/c18-11-10-17(12-14-4-2-1-3-5-14)13-15-6-8-16-9-7-15;/h14-16,18H,1-13H2;1H.
What are the key properties of 2-[cyclohexylmethyl(piperidin-4-ylmethyl)amino]ethanol;hydrochloride?
2-[cyclohexylmethyl(piperidin-4-ylmethyl)amino]ethanol;hydrochloride has a molecular weight of 290.88 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexylmethyl(piperidin-4-ylmethyl)amino]ethanol;hydrochloride is sourced from PubChem (CID 120849278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).