ethyl 1-(2-hydroxybutyl)piperidine-3-carboxylate

C12H23NO3 — CID 60885528

IUPACethyl 1-(2-hydroxybutyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CC(O)CC)C1
InChIInChI=1S/C12H23NO3/c1-3-11(14)9-13-7-5-6-10(8-13)12(15)16-4-2/h10-11,14H,3-9H2,1-2H3
InChIKeyXDQXKVZQKLRQFU-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.03
Rot. Bonds5

About ethyl 1-(2-hydroxybutyl)piperidine-3-carboxylate

ethyl 1-(2-hydroxybutyl)piperidine-3-carboxylate (PubChem CID 60885528) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is ethyl 1-(2-hydroxybutyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-hydroxybutyl)piperidine-3-carboxylate
PubChem CID60885528
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nameethyl 1-(2-hydroxybutyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CC(O)CC)C1
InChIInChI=1S/C12H23NO3/c1-3-11(14)9-13-7-5-6-10(8-13)12(15)16-4-2/h10-11,14H,3-9H2,1-2H3
InChIKeyXDQXKVZQKLRQFU-UHFFFAOYSA-N
XLogP1.03
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3R)-1-(3-ethoxy-2-hydroxypropyl)piperidine-3-carboxylate
CID 81338320
ethyl (3S)-1-(2,2-difluoroethyl)piperidine-3-carboxylate
CID 28869444
ethyl (3S)-1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxylate
CID 113330813
ethyl (3R)-1-(2,2-dimethoxyethyl)piperidine-3-carboxylate
CID 115538052
3-[(3R)-3-ethoxycarbonylpiperidin-1-yl]-2-methylpropanoic acid
CID 106484520
ethyl 1-(3-amino-2-methylpropyl)piperidine-3-carboxylate
CID 63383012
ethyl (3S)-1-[(2R)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidine-3-carboxylate
CID 99819039
ethyl 1-(3-amino-2-ethoxypropyl)piperidine-3-carboxylate
CID 63383208
ethyl (3R)-1-(2-fluoroethyl)piperidine-3-carboxylate
CID 81361898
ethyl (3R)-1-(cyclopropylmethyl)piperidine-3-carboxylate
CID 81338188
ethyl (3S)-1-propylpiperidine-3-carboxylate
CID 51669174
1-[(2R)-2-hydroxybutyl]-N,N-dimethylpiperidine-3-carboxamide
CID 111487608

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-hydroxybutyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(2-hydroxybutyl)piperidine-3-carboxylate (CID 60885528) is ethyl 1-(2-hydroxybutyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2-hydroxybutyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(2-hydroxybutyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(CC(O)CC)C1.
What is the InChIKey of ethyl 1-(2-hydroxybutyl)piperidine-3-carboxylate?
The InChIKey is XDQXKVZQKLRQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-3-11(14)9-13-7-5-6-10(8-13)12(15)16-4-2/h10-11,14H,3-9H2,1-2H3.
What are the key properties of ethyl 1-(2-hydroxybutyl)piperidine-3-carboxylate?
ethyl 1-(2-hydroxybutyl)piperidine-3-carboxylate has a molecular weight of 229.32 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-hydroxybutyl)piperidine-3-carboxylate is sourced from PubChem (CID 60885528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).