(3S,4R)-4-phenyl-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-3-ol

C19H25N3OS — CID 162625989

IUPAC(3S,4R)-4-phenyl-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-3-ol
SMILESO[C@@H]1CN(Cc2cnc(N3CCCC3)s2)CC[C@@H]1c1ccccc1
InChIInChI=1S/C19H25N3OS/c23-18-14-21(11-8-17(18)15-6-2-1-3-7-15)13-16-12-20-19(24-16)22-9-4-5-10-22/h1-3,6-7,12,17-18,23H,4-5,8-11,13-14H2/t17-,18-/m1/s1
InChIKeyHYOHQZGHUBNEOZ-QZTJIDSGSA-N
MW343.50 g/mol
LogP3.09
Rot. Bonds4

About (3S,4R)-4-phenyl-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-3-ol

(3S,4R)-4-phenyl-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-3-ol (PubChem CID 162625989) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is (3S,4R)-4-phenyl-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-phenyl-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-3-ol
PubChem CID162625989
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name(3S,4R)-4-phenyl-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-3-ol
SMILESO[C@@H]1CN(Cc2cnc(N3CCCC3)s2)CC[C@@H]1c1ccccc1
InChIInChI=1S/C19H25N3OS/c23-18-14-21(11-8-17(18)15-6-2-1-3-7-15)13-16-12-20-19(24-16)22-9-4-5-10-22/h1-3,6-7,12,17-18,23H,4-5,8-11,13-14H2/t17-,18-/m1/s1
InChIKeyHYOHQZGHUBNEOZ-QZTJIDSGSA-N
XLogP3.09
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S,4R)-4-phenyl-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-3-ol with MolForge

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Related Compounds

(3R,4R)-4-(azepan-1-yl)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-3-ol
CID 56853466
(3R,4R)-1-benzyl-4-phenylpiperidin-3-ol
CID 54282589
5-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole
CID 99936999
[4-[[(3R)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol
CID 97118512
5-(piperidin-1-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole
CID 118472763
formic acid;5-[[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole
CID 171712121
(3S,4R)-4-(hydroxymethyl)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-ol
CID 155496457
(3S,4R)-4-(pyridin-4-ylmethyl)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol
CID 134707152
(3S,4R)-1-[(5-chloro-2-pyridinyl)methyl]-4-phenylpiperidin-3-ol
CID 162634174
5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole
CID 56914538
[1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-(4-phenylphenyl)methanone
CID 45231856
5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79772023

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-phenyl-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-3-ol?
The IUPAC name of (3S,4R)-4-phenyl-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-3-ol (CID 162625989) is (3S,4R)-4-phenyl-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-3-ol.
What is the SMILES notation for (3S,4R)-4-phenyl-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-3-ol?
The canonical SMILES for (3S,4R)-4-phenyl-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-3-ol is O[C@@H]1CN(Cc2cnc(N3CCCC3)s2)CC[C@@H]1c1ccccc1.
What is the InChIKey of (3S,4R)-4-phenyl-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-3-ol?
The InChIKey is HYOHQZGHUBNEOZ-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H25N3OS/c23-18-14-21(11-8-17(18)15-6-2-1-3-7-15)13-16-12-20-19(24-16)22-9-4-5-10-22/h1-3,6-7,12,17-18,23H,4-5,8-11,13-14H2/t17-,18-/m1/s1.
What are the key properties of (3S,4R)-4-phenyl-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-3-ol?
(3S,4R)-4-phenyl-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-3-ol has a molecular weight of 343.50 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-phenyl-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 162625989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).