3-[(3R,4S)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol

C21H35N3O3 — CID 72920576

IUPAC3-[(3R,4S)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol
SMILESCOc1c(C)cnc(CN2CC[C@H](N3CCOCC3)[C@H](CCCO)C2)c1C
InChIInChI=1S/C21H35N3O3/c1-16-13-22-19(17(2)21(16)26-3)15-23-7-6-20(18(14-23)5-4-10-25)24-8-11-27-12-9-24/h13,18,20,25H,4-12,14-15H2,1-3H3/t18-,20+/m1/s1
InChIKeyRZHZRYLCCUFHEL-QUCCMNQESA-N
MW377.53 g/mol
LogP2.00
Rot. Bonds7

About 3-[(3R,4S)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol

3-[(3R,4S)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol (PubChem CID 72920576) has the molecular formula C21H35N3O3 and a molecular weight of 377.53 g/mol. Its IUPAC name is 3-[(3R,4S)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(3R,4S)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol
PubChem CID72920576
Molecular FormulaC21H35N3O3
Molecular Weight377.53 g/mol
Exact Mass377.27
IUPAC Name3-[(3R,4S)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol
SMILESCOc1c(C)cnc(CN2CC[C@H](N3CCOCC3)[C@H](CCCO)C2)c1C
InChIInChI=1S/C21H35N3O3/c1-16-13-22-19(17(2)21(16)26-3)15-23-7-6-20(18(14-23)5-4-10-25)24-8-11-27-12-9-24/h13,18,20,25H,4-12,14-15H2,1-3H3/t18-,20+/m1/s1
InChIKeyRZHZRYLCCUFHEL-QUCCMNQESA-N
XLogP2.00
TPSA58.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4S)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol?
The IUPAC name of 3-[(3R,4S)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol (CID 72920576) is 3-[(3R,4S)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol.
What is the SMILES notation for 3-[(3R,4S)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol?
The canonical SMILES for 3-[(3R,4S)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol is COc1c(C)cnc(CN2CC[C@H](N3CCOCC3)[C@H](CCCO)C2)c1C.
What is the InChIKey of 3-[(3R,4S)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol?
The InChIKey is RZHZRYLCCUFHEL-QUCCMNQESA-N. The full InChI is InChI=1S/C21H35N3O3/c1-16-13-22-19(17(2)21(16)26-3)15-23-7-6-20(18(14-23)5-4-10-25)24-8-11-27-12-9-24/h13,18,20,25H,4-12,14-15H2,1-3H3/t18-,20+/m1/s1.
What are the key properties of 3-[(3R,4S)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol?
3-[(3R,4S)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol has a molecular weight of 377.53 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4S)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol is sourced from PubChem (CID 72920576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).