(3R,4S)-3-(dimethylamino)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-phenylpiperidin-4-ol

C19H28N4O — CID 71687064

IUPAC(3R,4S)-3-(dimethylamino)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-phenylpiperidin-4-ol
SMILESCc1nn(C)cc1CN1CC[C@](O)(c2ccccc2)[C@H](N(C)C)C1
InChIInChI=1S/C19H28N4O/c1-15-16(12-22(4)20-15)13-23-11-10-19(24,18(14-23)21(2)3)17-8-6-5-7-9-17/h5-9,12,18,24H,10-11,13-14H2,1-4H3/t18-,19+/m1/s1
InChIKeyRGNULRDQPMPMBF-MOPGFXCFSA-N
MW328.46 g/mol
LogP1.75
Rot. Bonds4

About (3R,4S)-3-(dimethylamino)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-phenylpiperidin-4-ol

(3R,4S)-3-(dimethylamino)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-phenylpiperidin-4-ol (PubChem CID 71687064) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is (3R,4S)-3-(dimethylamino)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-phenylpiperidin-4-ol.

Molecular Properties

Compound Name(3R,4S)-3-(dimethylamino)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-phenylpiperidin-4-ol
PubChem CID71687064
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name(3R,4S)-3-(dimethylamino)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-phenylpiperidin-4-ol
SMILESCc1nn(C)cc1CN1CC[C@](O)(c2ccccc2)[C@H](N(C)C)C1
InChIInChI=1S/C19H28N4O/c1-15-16(12-22(4)20-15)13-23-11-10-19(24,18(14-23)21(2)3)17-8-6-5-7-9-17/h5-9,12,18,24H,10-11,13-14H2,1-4H3/t18-,19+/m1/s1
InChIKeyRGNULRDQPMPMBF-MOPGFXCFSA-N
XLogP1.75
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-(dimethylamino)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-phenylpiperidin-4-ol?
The IUPAC name of (3R,4S)-3-(dimethylamino)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-phenylpiperidin-4-ol (CID 71687064) is (3R,4S)-3-(dimethylamino)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-phenylpiperidin-4-ol.
What is the SMILES notation for (3R,4S)-3-(dimethylamino)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-phenylpiperidin-4-ol?
The canonical SMILES for (3R,4S)-3-(dimethylamino)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-phenylpiperidin-4-ol is Cc1nn(C)cc1CN1CC[C@](O)(c2ccccc2)[C@H](N(C)C)C1.
What is the InChIKey of (3R,4S)-3-(dimethylamino)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-phenylpiperidin-4-ol?
The InChIKey is RGNULRDQPMPMBF-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H28N4O/c1-15-16(12-22(4)20-15)13-23-11-10-19(24,18(14-23)21(2)3)17-8-6-5-7-9-17/h5-9,12,18,24H,10-11,13-14H2,1-4H3/t18-,19+/m1/s1.
What are the key properties of (3R,4S)-3-(dimethylamino)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-phenylpiperidin-4-ol?
(3R,4S)-3-(dimethylamino)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-phenylpiperidin-4-ol has a molecular weight of 328.46 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-(dimethylamino)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-phenylpiperidin-4-ol is sourced from PubChem (CID 71687064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).