2-[1-(cyclohexylmethyl)piperidin-2-yl]ethyl N-[3-(dimethylamino)propyl]carbamate

C20H39N3O2 — CID 54335628

IUPAC2-[1-(cyclohexylmethyl)piperidin-2-yl]ethyl N-[3-(dimethylamino)propyl]carbamate
SMILESCN(C)CCCNC(=O)OCCC1CCCCN1CC1CCCCC1
InChIInChI=1S/C20H39N3O2/c1-22(2)14-8-13-21-20(24)25-16-12-19-11-6-7-15-23(19)17-18-9-4-3-5-10-18/h18-19H,3-17H2,1-2H3,(H,21,24)
InChIKeyTVGWTJWWGYRPDJ-UHFFFAOYSA-N
MW353.55 g/mol
LogP3.49
Rot. Bonds9

About 2-[1-(cyclohexylmethyl)piperidin-2-yl]ethyl N-[3-(dimethylamino)propyl]carbamate

2-[1-(cyclohexylmethyl)piperidin-2-yl]ethyl N-[3-(dimethylamino)propyl]carbamate (PubChem CID 54335628) has the molecular formula C20H39N3O2 and a molecular weight of 353.55 g/mol. Its IUPAC name is 2-[1-(cyclohexylmethyl)piperidin-2-yl]ethyl N-[3-(dimethylamino)propyl]carbamate.

Molecular Properties

Compound Name2-[1-(cyclohexylmethyl)piperidin-2-yl]ethyl N-[3-(dimethylamino)propyl]carbamate
PubChem CID54335628
Molecular FormulaC20H39N3O2
Molecular Weight353.55 g/mol
Exact Mass353.30
IUPAC Name2-[1-(cyclohexylmethyl)piperidin-2-yl]ethyl N-[3-(dimethylamino)propyl]carbamate
SMILESCN(C)CCCNC(=O)OCCC1CCCCN1CC1CCCCC1
InChIInChI=1S/C20H39N3O2/c1-22(2)14-8-13-21-20(24)25-16-12-19-11-6-7-15-23(19)17-18-9-4-3-5-10-18/h18-19H,3-17H2,1-2H3,(H,21,24)
InChIKeyTVGWTJWWGYRPDJ-UHFFFAOYSA-N
XLogP3.49
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.55
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Ethyl 4-[(2-methylcyclohexyl)amino]-1-piperidinecarboxylate
CID 2846299
(4S,6S)-4-cyclohexyl-6-(2-methylpropyl)-1,3-oxazinan-2-one
CID 101155621
Tert-butyl 4-[(cyclohexylmethyl)amino]piperidine-1-carboxylate
CID 15380712
octadecyl 2-{2-[N-[3-(dimethylamino)propyl]carbamoyloxy]ethyl}piperidinecarboxylate
CID 15897849
2-(1-octadecylpiperidin-2-yl)ethyl N-[3-(dimethylamino)propyl]carbamate
CID 15897850
2-[3-methyl-1-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-[3-(dimethylamino)propyl]carbamate
CID 17781544
hexadecyl N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate
CID 17995526
cyclohexylmethyl N-piperidin-4-yl-N-propylcarbamate;hydrochloride
CID 18372792
cyclohexylmethyl N-piperidin-4-yl-N-propylcarbamate
CID 18372793
ethyl N-(cyclohexylmethyl)-N-piperidin-4-ylcarbamate;hydrochloride
CID 18372812
ethyl N-(cyclohexylmethyl)-N-piperidin-4-ylcarbamate
CID 18372813
2-[1-[3-(dimethylamino)propyl]piperidin-2-yl]ethyl N-octadecylcarbamate
CID 18789402

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexylmethyl)piperidin-2-yl]ethyl N-[3-(dimethylamino)propyl]carbamate?
The IUPAC name of 2-[1-(cyclohexylmethyl)piperidin-2-yl]ethyl N-[3-(dimethylamino)propyl]carbamate (CID 54335628) is 2-[1-(cyclohexylmethyl)piperidin-2-yl]ethyl N-[3-(dimethylamino)propyl]carbamate.
What is the SMILES notation for 2-[1-(cyclohexylmethyl)piperidin-2-yl]ethyl N-[3-(dimethylamino)propyl]carbamate?
The canonical SMILES for 2-[1-(cyclohexylmethyl)piperidin-2-yl]ethyl N-[3-(dimethylamino)propyl]carbamate is CN(C)CCCNC(=O)OCCC1CCCCN1CC1CCCCC1.
What is the InChIKey of 2-[1-(cyclohexylmethyl)piperidin-2-yl]ethyl N-[3-(dimethylamino)propyl]carbamate?
The InChIKey is TVGWTJWWGYRPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N3O2/c1-22(2)14-8-13-21-20(24)25-16-12-19-11-6-7-15-23(19)17-18-9-4-3-5-10-18/h18-19H,3-17H2,1-2H3,(H,21,24).
What are the key properties of 2-[1-(cyclohexylmethyl)piperidin-2-yl]ethyl N-[3-(dimethylamino)propyl]carbamate?
2-[1-(cyclohexylmethyl)piperidin-2-yl]ethyl N-[3-(dimethylamino)propyl]carbamate has a molecular weight of 353.55 g/mol, XLogP of 3.49, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexylmethyl)piperidin-2-yl]ethyl N-[3-(dimethylamino)propyl]carbamate is sourced from PubChem (CID 54335628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).