(4S)-1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol

C16H27N3O2 — CID 72921823

IUPAC(4S)-1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol
SMILESCOC[C@]1(O)CCN(Cc2cc(C3CC3)n[nH]2)CC1(C)C
InChIInChI=1S/C16H27N3O2/c1-15(2)10-19(7-6-16(15,20)11-21-3)9-13-8-14(18-17-13)12-4-5-12/h8,12,20H,4-7,9-11H2,1-3H3,(H,17,18)/t16-/m1/s1
InChIKeyLWQMKCMGWGAKAV-MRXNPFEDSA-N
MW293.41 g/mol
LogP1.90
Rot. Bonds5

About (4S)-1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol

(4S)-1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol (PubChem CID 72921823) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is (4S)-1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol.

Molecular Properties

Compound Name(4S)-1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol
PubChem CID72921823
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name(4S)-1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol
SMILESCOC[C@]1(O)CCN(Cc2cc(C3CC3)n[nH]2)CC1(C)C
InChIInChI=1S/C16H27N3O2/c1-15(2)10-19(7-6-16(15,20)11-21-3)9-13-8-14(18-17-13)12-4-5-12/h8,12,20H,4-7,9-11H2,1-3H3,(H,17,18)/t16-/m1/s1
InChIKeyLWQMKCMGWGAKAV-MRXNPFEDSA-N
XLogP1.90
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol?
The IUPAC name of (4S)-1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol (CID 72921823) is (4S)-1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol.
What is the SMILES notation for (4S)-1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol?
The canonical SMILES for (4S)-1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol is COC[C@]1(O)CCN(Cc2cc(C3CC3)n[nH]2)CC1(C)C.
What is the InChIKey of (4S)-1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol?
The InChIKey is LWQMKCMGWGAKAV-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-15(2)10-19(7-6-16(15,20)11-21-3)9-13-8-14(18-17-13)12-4-5-12/h8,12,20H,4-7,9-11H2,1-3H3,(H,17,18)/t16-/m1/s1.
What are the key properties of (4S)-1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol?
(4S)-1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol has a molecular weight of 293.41 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol is sourced from PubChem (CID 72921823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).