(3R)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]cyclohexan-1-one

C14H26N2O — CID 124516728

IUPAC(3R)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]cyclohexan-1-one
SMILESCN(C)CC1CCN([C@@H]2CCCC(=O)C2)CC1
InChIInChI=1S/C14H26N2O/c1-15(2)11-12-6-8-16(9-7-12)13-4-3-5-14(17)10-13/h12-13H,3-11H2,1-2H3/t13-/m1/s1
InChIKeyPSWABFJKOZJEBV-CYBMUJFWSA-N
MW238.37 g/mol
LogP1.77
Rot. Bonds3

About (3R)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]cyclohexan-1-one

(3R)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]cyclohexan-1-one (PubChem CID 124516728) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is (3R)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]cyclohexan-1-one.

Molecular Properties

Compound Name(3R)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]cyclohexan-1-one
PubChem CID124516728
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name(3R)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]cyclohexan-1-one
SMILESCN(C)CC1CCN([C@@H]2CCCC(=O)C2)CC1
InChIInChI=1S/C14H26N2O/c1-15(2)11-12-6-8-16(9-7-12)13-4-3-5-14(17)10-13/h12-13H,3-11H2,1-2H3/t13-/m1/s1
InChIKeyPSWABFJKOZJEBV-CYBMUJFWSA-N
XLogP1.77
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-aminopyrrolidin-1-yl)cyclohexan-1-one
CID 79619295
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclohexan-1-one
CID 79934846
3-pyrrolidin-1-ylcyclopentan-1-one
CID 79643269
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]cyclopentan-1-one
CID 79642697
3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]cyclohexan-1-one
CID 112626556
3-methyl-1-(3-oxocyclohexyl)piperidin-4-one
CID 114501314
2-[4-[(dimethylamino)methyl]piperidin-1-yl]cyclohexan-1-amine
CID 54985776
3,4,6,7,9,9a-hexahydro-1H-quinolizine-2,8-dione
CID 164802583
3-[4-[(dimethylamino)methyl]piperidin-1-yl]cyclopent-2-en-1-one
CID 104787803
3-(4-ethyl-1,4-diazepan-1-yl)cyclopentan-1-one
CID 131115351
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclopentan-1-one
CID 79934767
1-cyclobutyl-N,N-dimethylmethanamine
CID 4285302

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]cyclohexan-1-one?
The IUPAC name of (3R)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]cyclohexan-1-one (CID 124516728) is (3R)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]cyclohexan-1-one.
What is the SMILES notation for (3R)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]cyclohexan-1-one?
The canonical SMILES for (3R)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]cyclohexan-1-one is CN(C)CC1CCN([C@@H]2CCCC(=O)C2)CC1.
What is the InChIKey of (3R)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]cyclohexan-1-one?
The InChIKey is PSWABFJKOZJEBV-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H26N2O/c1-15(2)11-12-6-8-16(9-7-12)13-4-3-5-14(17)10-13/h12-13H,3-11H2,1-2H3/t13-/m1/s1.
What are the key properties of (3R)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]cyclohexan-1-one?
(3R)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]cyclohexan-1-one has a molecular weight of 238.37 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]cyclohexan-1-one is sourced from PubChem (CID 124516728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).