ethyl 1-[(2R)-3-cyclopentyloxy-2-hydroxypropyl]piperidine-4-carboxylate

C16H29NO4 — CID 42588042

IUPACethyl 1-[(2R)-3-cyclopentyloxy-2-hydroxypropyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C[C@@H](O)COC2CCCC2)CC1
InChIInChI=1S/C16H29NO4/c1-2-20-16(19)13-7-9-17(10-8-13)11-14(18)12-21-15-5-3-4-6-15/h13-15,18H,2-12H2,1H3/t14-/m1/s1
InChIKeyDDDDSBLKSQZIAX-CQSZACIVSA-N
MW299.41 g/mol
LogP1.58
Rot. Bonds7

About ethyl 1-[(2R)-3-cyclopentyloxy-2-hydroxypropyl]piperidine-4-carboxylate

ethyl 1-[(2R)-3-cyclopentyloxy-2-hydroxypropyl]piperidine-4-carboxylate (PubChem CID 42588042) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is ethyl 1-[(2R)-3-cyclopentyloxy-2-hydroxypropyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2R)-3-cyclopentyloxy-2-hydroxypropyl]piperidine-4-carboxylate
PubChem CID42588042
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Nameethyl 1-[(2R)-3-cyclopentyloxy-2-hydroxypropyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C[C@@H](O)COC2CCCC2)CC1
InChIInChI=1S/C16H29NO4/c1-2-20-16(19)13-7-9-17(10-8-13)11-14(18)12-21-15-5-3-4-6-15/h13-15,18H,2-12H2,1H3/t14-/m1/s1
InChIKeyDDDDSBLKSQZIAX-CQSZACIVSA-N
XLogP1.58
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2R)-3-cyclopentyloxy-2-hydroxypropyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(2R)-3-cyclopentyloxy-2-hydroxypropyl]piperidine-4-carboxylate (CID 42588042) is ethyl 1-[(2R)-3-cyclopentyloxy-2-hydroxypropyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(2R)-3-cyclopentyloxy-2-hydroxypropyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(2R)-3-cyclopentyloxy-2-hydroxypropyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C[C@@H](O)COC2CCCC2)CC1.
What is the InChIKey of ethyl 1-[(2R)-3-cyclopentyloxy-2-hydroxypropyl]piperidine-4-carboxylate?
The InChIKey is DDDDSBLKSQZIAX-CQSZACIVSA-N. The full InChI is InChI=1S/C16H29NO4/c1-2-20-16(19)13-7-9-17(10-8-13)11-14(18)12-21-15-5-3-4-6-15/h13-15,18H,2-12H2,1H3/t14-/m1/s1.
What are the key properties of ethyl 1-[(2R)-3-cyclopentyloxy-2-hydroxypropyl]piperidine-4-carboxylate?
ethyl 1-[(2R)-3-cyclopentyloxy-2-hydroxypropyl]piperidine-4-carboxylate has a molecular weight of 299.41 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2R)-3-cyclopentyloxy-2-hydroxypropyl]piperidine-4-carboxylate is sourced from PubChem (CID 42588042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).