(4,4-dimethylazepan-1-yl)-[(2R)-piperidin-2-yl]methanone

C14H26N2O — CID 103812421

IUPAC(4,4-dimethylazepan-1-yl)-[(2R)-piperidin-2-yl]methanone
SMILESCC1(C)CCCN(C(=O)[C@H]2CCCCN2)CC1
InChIInChI=1S/C14H26N2O/c1-14(2)7-5-10-16(11-8-14)13(17)12-6-3-4-9-15-12/h12,15H,3-11H2,1-2H3/t12-/m1/s1
InChIKeyKHUUEZSWFJGYQQ-GFCCVEGCSA-N
MW238.37 g/mol
LogP2.17
Rot. Bonds1

About (4,4-dimethylazepan-1-yl)-[(2R)-piperidin-2-yl]methanone

(4,4-dimethylazepan-1-yl)-[(2R)-piperidin-2-yl]methanone (PubChem CID 103812421) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is (4,4-dimethylazepan-1-yl)-[(2R)-piperidin-2-yl]methanone.

Molecular Properties

Compound Name(4,4-dimethylazepan-1-yl)-[(2R)-piperidin-2-yl]methanone
PubChem CID103812421
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name(4,4-dimethylazepan-1-yl)-[(2R)-piperidin-2-yl]methanone
SMILESCC1(C)CCCN(C(=O)[C@H]2CCCCN2)CC1
InChIInChI=1S/C14H26N2O/c1-14(2)7-5-10-16(11-8-14)13(17)12-6-3-4-9-15-12/h12,15H,3-11H2,1-2H3/t12-/m1/s1
InChIKeyKHUUEZSWFJGYQQ-GFCCVEGCSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4,4-dimethylazepan-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103797741
(4,4-dimethylpiperidin-1-yl)-[(2R)-piperidin-2-yl]methanone
CID 94899369
azepan-2-yl-(4,4-dimethylpiperidin-1-yl)methanone
CID 64571164
(4,4-dimethylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 119316184
azepan-1-yl(azepan-2-yl)methanone
CID 64562203
azepan-1-yl-[(2R)-piperidin-2-yl]methanone
CID 7183049
(4,4-difluoropiperidin-1-yl)-piperidin-2-ylmethanone
CID 116991084
(3-hydroxy-3-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 103356057
azepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119669545
azocan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119676414
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
4-ethyl-1-[(2R)-piperidine-2-carbonyl]piperidine-4-carboxylic acid
CID 104913902

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethylazepan-1-yl)-[(2R)-piperidin-2-yl]methanone?
The IUPAC name of (4,4-dimethylazepan-1-yl)-[(2R)-piperidin-2-yl]methanone (CID 103812421) is (4,4-dimethylazepan-1-yl)-[(2R)-piperidin-2-yl]methanone.
What is the SMILES notation for (4,4-dimethylazepan-1-yl)-[(2R)-piperidin-2-yl]methanone?
The canonical SMILES for (4,4-dimethylazepan-1-yl)-[(2R)-piperidin-2-yl]methanone is CC1(C)CCCN(C(=O)[C@H]2CCCCN2)CC1.
What is the InChIKey of (4,4-dimethylazepan-1-yl)-[(2R)-piperidin-2-yl]methanone?
The InChIKey is KHUUEZSWFJGYQQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H26N2O/c1-14(2)7-5-10-16(11-8-14)13(17)12-6-3-4-9-15-12/h12,15H,3-11H2,1-2H3/t12-/m1/s1.
What are the key properties of (4,4-dimethylazepan-1-yl)-[(2R)-piperidin-2-yl]methanone?
(4,4-dimethylazepan-1-yl)-[(2R)-piperidin-2-yl]methanone has a molecular weight of 238.37 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethylazepan-1-yl)-[(2R)-piperidin-2-yl]methanone is sourced from PubChem (CID 103812421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).