(3R)-1-[2-(2-methoxyphenoxy)ethyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine

C20H29N3O2 — CID 97193416

IUPAC(3R)-1-[2-(2-methoxyphenoxy)ethyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine
SMILESCOc1ccccc1OCCN1CCC[C@@H](c2nccn2C(C)C)C1
InChIInChI=1S/C20H29N3O2/c1-16(2)23-12-10-21-20(23)17-7-6-11-22(15-17)13-14-25-19-9-5-4-8-18(19)24-3/h4-5,8-10,12,16-17H,6-7,11,13-15H2,1-3H3/t17-/m1/s1
InChIKeyNHQLUZNIKDCMNK-QGZVFWFLSA-N
MW343.47 g/mol
LogP3.73
Rot. Bonds7

About (3R)-1-[2-(2-methoxyphenoxy)ethyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine

(3R)-1-[2-(2-methoxyphenoxy)ethyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine (PubChem CID 97193416) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is (3R)-1-[2-(2-methoxyphenoxy)ethyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine.

Molecular Properties

Compound Name(3R)-1-[2-(2-methoxyphenoxy)ethyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine
PubChem CID97193416
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name(3R)-1-[2-(2-methoxyphenoxy)ethyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine
SMILESCOc1ccccc1OCCN1CCC[C@@H](c2nccn2C(C)C)C1
InChIInChI=1S/C20H29N3O2/c1-16(2)23-12-10-21-20(23)17-7-6-11-22(15-17)13-14-25-19-9-5-4-8-18(19)24-3/h4-5,8-10,12,16-17H,6-7,11,13-15H2,1-3H3/t17-/m1/s1
InChIKeyNHQLUZNIKDCMNK-QGZVFWFLSA-N
XLogP3.73
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[2-(2-methoxyphenoxy)ethyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine
CID 97193417
1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-amine;hydrochloride
CID 119910302
(3R)-3-(1-ethylimidazol-2-yl)-1-[2-(2-ethylphenoxy)ethyl]piperidine
CID 97134256
(3S)-1-[(2-methoxyphenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine
CID 96573404
[1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]methanamine
CID 19085480
[1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915924
(3S)-1-pent-2-ynyl-3-(1-propan-2-ylimidazol-2-yl)piperidine
CID 97195423
1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 867242
4-[[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]benzamide
CID 97198380
(3R)-1-[2-(4-chloropyrazol-1-yl)ethyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine
CID 97201985
1-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]-3-methylpiperidine
CID 2934115
5-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514013

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(2-methoxyphenoxy)ethyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine?
The IUPAC name of (3R)-1-[2-(2-methoxyphenoxy)ethyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine (CID 97193416) is (3R)-1-[2-(2-methoxyphenoxy)ethyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine.
What is the SMILES notation for (3R)-1-[2-(2-methoxyphenoxy)ethyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine?
The canonical SMILES for (3R)-1-[2-(2-methoxyphenoxy)ethyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine is COc1ccccc1OCCN1CCC[C@@H](c2nccn2C(C)C)C1.
What is the InChIKey of (3R)-1-[2-(2-methoxyphenoxy)ethyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine?
The InChIKey is NHQLUZNIKDCMNK-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-16(2)23-12-10-21-20(23)17-7-6-11-22(15-17)13-14-25-19-9-5-4-8-18(19)24-3/h4-5,8-10,12,16-17H,6-7,11,13-15H2,1-3H3/t17-/m1/s1.
What are the key properties of (3R)-1-[2-(2-methoxyphenoxy)ethyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine?
(3R)-1-[2-(2-methoxyphenoxy)ethyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine has a molecular weight of 343.47 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(2-methoxyphenoxy)ethyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine is sourced from PubChem (CID 97193416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).