(3R,4R)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-(oxan-4-yl)piperidin-4-ol

C16H26N2O2S — CID 72887759

IUPAC(3R,4R)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-(oxan-4-yl)piperidin-4-ol
SMILESCc1csc(CN2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)n1
InChIInChI=1S/C16H26N2O2S/c1-12-9-18(10-15-17-13(2)11-21-15)6-5-16(12,19)14-3-7-20-8-4-14/h11-12,14,19H,3-10H2,1-2H3/t12-,16+/m1/s1
InChIKeyRSCSXZYSSJZFNM-WBMJQRKESA-N
MW310.46 g/mol
LogP2.45
Rot. Bonds3

About (3R,4R)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-(oxan-4-yl)piperidin-4-ol

(3R,4R)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-(oxan-4-yl)piperidin-4-ol (PubChem CID 72887759) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is (3R,4R)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-(oxan-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-(oxan-4-yl)piperidin-4-ol
PubChem CID72887759
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name(3R,4R)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-(oxan-4-yl)piperidin-4-ol
SMILESCc1csc(CN2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)n1
InChIInChI=1S/C16H26N2O2S/c1-12-9-18(10-15-17-13(2)11-21-15)6-5-16(12,19)14-3-7-20-8-4-14/h11-12,14,19H,3-10H2,1-2H3/t12-,16+/m1/s1
InChIKeyRSCSXZYSSJZFNM-WBMJQRKESA-N
XLogP2.45
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R,4R)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-(oxan-4-yl)piperidin-4-ol with MolForge

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Launch Full Analysis

Related Compounds

(3R*,4R*)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(2-methoxyethyl)-3-methyl-4-piperidinol
CID 72857839
(3R*,4R*)-1-[(4-isopropyl-1,3-thiazol-2-yl)methyl]-4-(2-methoxyethyl)-3-methyl-4-piperidinol
CID 72859661
(3R*,4R*)-4-(2-methoxyethyl)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-piperidinol
CID 72902967
(3R*,4R*)-1-[(2-isopropyl-1,3-thiazol-4-yl)carbonyl]-3-methyl-4-(tetrahydro-2H-pyran-4-yl)-4-piperidinol
CID 72861374
(4S)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 96390603
2-[1-[(2-Methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanol
CID 62357168
1,9-Dioxaspiro[5.5]undec-4-yl[(2-isopropyl-1,3-thiazol-4-yl)methyl]methylamine
CID 70743736
1-(1,9-Dioxaspiro[5.5]undec-4-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine
CID 70762310
3-Ethoxy-7-[(4-methyl-1,3-thiazol-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol
CID 71971879
(3R*,4R*)-3-methyl-4-(tetrahydro-2H-pyran-4-yl)-1-(1,3-thiazol-4-ylmethyl)-4-piperidinol
CID 72859824
(3R*,4R*)-3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)carbonyl]-4-(tetrahydro-2H-pyran-4-yl)-4-piperidinol
CID 72867963
(3R*,4R*)-3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)acetyl]-4-(tetrahydro-2H-pyran-4-yl)-4-piperidinol
CID 72882568

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-(oxan-4-yl)piperidin-4-ol?
The IUPAC name of (3R,4R)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-(oxan-4-yl)piperidin-4-ol (CID 72887759) is (3R,4R)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-(oxan-4-yl)piperidin-4-ol.
What is the SMILES notation for (3R,4R)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-(oxan-4-yl)piperidin-4-ol?
The canonical SMILES for (3R,4R)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-(oxan-4-yl)piperidin-4-ol is Cc1csc(CN2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)n1.
What is the InChIKey of (3R,4R)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-(oxan-4-yl)piperidin-4-ol?
The InChIKey is RSCSXZYSSJZFNM-WBMJQRKESA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-12-9-18(10-15-17-13(2)11-21-15)6-5-16(12,19)14-3-7-20-8-4-14/h11-12,14,19H,3-10H2,1-2H3/t12-,16+/m1/s1.
What are the key properties of (3R,4R)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-(oxan-4-yl)piperidin-4-ol?
(3R,4R)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-(oxan-4-yl)piperidin-4-ol has a molecular weight of 310.46 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-(oxan-4-yl)piperidin-4-ol is sourced from PubChem (CID 72887759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).