(1S)-3-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-1-phenylpropan-1-ol

C20H29N3O2 — CID 70746404

IUPAC(1S)-3-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-1-phenylpropan-1-ol
SMILESCOCCn1ccnc1C1CCN(CC[C@H](O)c2ccccc2)CC1
InChIInChI=1S/C20H29N3O2/c1-25-16-15-23-14-10-21-20(23)18-7-11-22(12-8-18)13-9-19(24)17-5-3-2-4-6-17/h2-6,10,14,18-19,24H,7-9,11-13,15-16H2,1H3/t19-/m0/s1
InChIKeyOZQQPXXLUTXQSU-IBGZPJMESA-N
MW343.47 g/mol
LogP2.83
Rot. Bonds8

About (1S)-3-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-1-phenylpropan-1-ol

(1S)-3-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-1-phenylpropan-1-ol (PubChem CID 70746404) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is (1S)-3-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1S)-3-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-1-phenylpropan-1-ol
PubChem CID70746404
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name(1S)-3-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-1-phenylpropan-1-ol
SMILESCOCCn1ccnc1C1CCN(CC[C@H](O)c2ccccc2)CC1
InChIInChI=1S/C20H29N3O2/c1-25-16-15-23-14-10-21-20(23)18-7-11-22(12-8-18)13-9-19(24)17-5-3-2-4-6-17/h2-6,10,14,18-19,24H,7-9,11-13,15-16H2,1H3/t19-/m0/s1
InChIKeyOZQQPXXLUTXQSU-IBGZPJMESA-N
XLogP2.83
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-3-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-1-phenylpropan-1-ol?
The IUPAC name of (1S)-3-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-1-phenylpropan-1-ol (CID 70746404) is (1S)-3-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-1-phenylpropan-1-ol.
What is the SMILES notation for (1S)-3-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-1-phenylpropan-1-ol?
The canonical SMILES for (1S)-3-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-1-phenylpropan-1-ol is COCCn1ccnc1C1CCN(CC[C@H](O)c2ccccc2)CC1.
What is the InChIKey of (1S)-3-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-1-phenylpropan-1-ol?
The InChIKey is OZQQPXXLUTXQSU-IBGZPJMESA-N. The full InChI is InChI=1S/C20H29N3O2/c1-25-16-15-23-14-10-21-20(23)18-7-11-22(12-8-18)13-9-19(24)17-5-3-2-4-6-17/h2-6,10,14,18-19,24H,7-9,11-13,15-16H2,1H3/t19-/m0/s1.
What are the key properties of (1S)-3-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-1-phenylpropan-1-ol?
(1S)-3-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-1-phenylpropan-1-ol has a molecular weight of 343.47 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-1-phenylpropan-1-ol is sourced from PubChem (CID 70746404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).