3-[(3R,4S)-1-[(1-ethylpyrazol-4-yl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol

C18H32N4O2 — CID 72890480

IUPAC3-[(3R,4S)-1-[(1-ethylpyrazol-4-yl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol
SMILESCCn1cc(CN2CC[C@H](N3CCOCC3)[C@H](CCCO)C2)cn1
InChIInChI=1S/C18H32N4O2/c1-2-22-14-16(12-19-22)13-20-6-5-18(17(15-20)4-3-9-23)21-7-10-24-11-8-21/h12,14,17-18,23H,2-11,13,15H2,1H3/t17-,18+/m1/s1
InChIKeyFDDSBDFIMHSWQC-MSOLQXFVSA-N
MW336.48 g/mol
LogP1.20
Rot. Bonds7

About 3-[(3R,4S)-1-[(1-ethylpyrazol-4-yl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol

3-[(3R,4S)-1-[(1-ethylpyrazol-4-yl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol (PubChem CID 72890480) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 3-[(3R,4S)-1-[(1-ethylpyrazol-4-yl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(3R,4S)-1-[(1-ethylpyrazol-4-yl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol
PubChem CID72890480
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC Name3-[(3R,4S)-1-[(1-ethylpyrazol-4-yl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol
SMILESCCn1cc(CN2CC[C@H](N3CCOCC3)[C@H](CCCO)C2)cn1
InChIInChI=1S/C18H32N4O2/c1-2-22-14-16(12-19-22)13-20-6-5-18(17(15-20)4-3-9-23)21-7-10-24-11-8-21/h12,14,17-18,23H,2-11,13,15H2,1H3/t17-,18+/m1/s1
InChIKeyFDDSBDFIMHSWQC-MSOLQXFVSA-N
XLogP1.20
TPSA53.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 51.20
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-[(1-ethylpyrazol-4-yl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol?
The IUPAC name of 3-[(3R,4S)-1-[(1-ethylpyrazol-4-yl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol (CID 72890480) is 3-[(3R,4S)-1-[(1-ethylpyrazol-4-yl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol.
What is the SMILES notation for 3-[(3R,4S)-1-[(1-ethylpyrazol-4-yl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol?
The canonical SMILES for 3-[(3R,4S)-1-[(1-ethylpyrazol-4-yl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol is CCn1cc(CN2CC[C@H](N3CCOCC3)[C@H](CCCO)C2)cn1.
What is the InChIKey of 3-[(3R,4S)-1-[(1-ethylpyrazol-4-yl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol?
The InChIKey is FDDSBDFIMHSWQC-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-2-22-14-16(12-19-22)13-20-6-5-18(17(15-20)4-3-9-23)21-7-10-24-11-8-21/h12,14,17-18,23H,2-11,13,15H2,1H3/t17-,18+/m1/s1.
What are the key properties of 3-[(3R,4S)-1-[(1-ethylpyrazol-4-yl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol?
3-[(3R,4S)-1-[(1-ethylpyrazol-4-yl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol has a molecular weight of 336.48 g/mol, XLogP of 1.20, 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-[(1-ethylpyrazol-4-yl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol is sourced from PubChem (CID 72890480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).