ethyl (3R)-1-[3-(dimethylamino)propyl]piperidine-3-carboxylate

C13H26N2O2 — CID 103785632

IUPACethyl (3R)-1-[3-(dimethylamino)propyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(CCCN(C)C)C1
InChIInChI=1S/C13H26N2O2/c1-4-17-13(16)12-7-5-9-15(11-12)10-6-8-14(2)3/h12H,4-11H2,1-3H3/t12-/m1/s1
InChIKeyHLFUCKFWYOZKEI-GFCCVEGCSA-N
MW242.36 g/mol
LogP1.21
Rot. Bonds6

About ethyl (3R)-1-[3-(dimethylamino)propyl]piperidine-3-carboxylate

ethyl (3R)-1-[3-(dimethylamino)propyl]piperidine-3-carboxylate (PubChem CID 103785632) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is ethyl (3R)-1-[3-(dimethylamino)propyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-[3-(dimethylamino)propyl]piperidine-3-carboxylate
PubChem CID103785632
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nameethyl (3R)-1-[3-(dimethylamino)propyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(CCCN(C)C)C1
InChIInChI=1S/C13H26N2O2/c1-4-17-13(16)12-7-5-9-15(11-12)10-6-8-14(2)3/h12H,4-11H2,1-3H3/t12-/m1/s1
InChIKeyHLFUCKFWYOZKEI-GFCCVEGCSA-N
XLogP1.21
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3R)-1-[4-(dimethylamino)-4-oxobutyl]piperidine-3-carboxylate
CID 115538067
ethyl (3S)-1-hexylpiperidine-3-carboxylate
CID 81337885
ethyl 1-dodecylpiperidine-3-carboxylate;hydrochloride
CID 117069127
ethyl (3S)-1-propylpiperidine-3-carboxylate
CID 51669174
ethyl (3R)-1-(2-fluoroethyl)piperidine-3-carboxylate
CID 81361898
ethyl 1-(3-cyanopropyl)piperidine-3-carboxylate
CID 15598963
ethyl 1-(3-methylsulfonyloxypropyl)piperidine-3-carboxylate
CID 19261841
ethyl 1-(3-azidopropyl)piperidine-3-carboxylate
CID 61396117
ethyl (3R)-1-(cyclopropylmethyl)piperidine-3-carboxylate
CID 81338188
ethyl 1-(3-methylbut-3-enyl)piperidine-3-carboxylate
CID 114448848
ethyl 1-(3-hydroxy-3-methylbutyl)piperidine-3-carboxylate
CID 79316103
ethyl 1-(2-cyclohexylethyl)piperidine-3-carboxylate
CID 113246394

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-[3-(dimethylamino)propyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-[3-(dimethylamino)propyl]piperidine-3-carboxylate (CID 103785632) is ethyl (3R)-1-[3-(dimethylamino)propyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-[3-(dimethylamino)propyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-[3-(dimethylamino)propyl]piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(CCCN(C)C)C1.
What is the InChIKey of ethyl (3R)-1-[3-(dimethylamino)propyl]piperidine-3-carboxylate?
The InChIKey is HLFUCKFWYOZKEI-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-17-13(16)12-7-5-9-15(11-12)10-6-8-14(2)3/h12H,4-11H2,1-3H3/t12-/m1/s1.
What are the key properties of ethyl (3R)-1-[3-(dimethylamino)propyl]piperidine-3-carboxylate?
ethyl (3R)-1-[3-(dimethylamino)propyl]piperidine-3-carboxylate has a molecular weight of 242.36 g/mol, XLogP of 1.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-[3-(dimethylamino)propyl]piperidine-3-carboxylate is sourced from PubChem (CID 103785632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).