(4S)-3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-ol

C16H27N3O2S — CID 97110053

IUPAC(4S)-3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-ol
SMILESCC1(C)CN(Cc2cscn2)CC[C@@]1(O)CN1CCOCC1
InChIInChI=1S/C16H27N3O2S/c1-15(2)11-19(9-14-10-22-13-17-14)4-3-16(15,20)12-18-5-7-21-8-6-18/h10,13,20H,3-9,11-12H2,1-2H3/t16-/m1/s1
InChIKeyFUZZKTRAQZSMEH-MRXNPFEDSA-N
MW325.48 g/mol
LogP1.44
Rot. Bonds4

About (4S)-3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-ol

(4S)-3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-ol (PubChem CID 97110053) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is (4S)-3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name(4S)-3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-ol
PubChem CID97110053
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC Name(4S)-3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-ol
SMILESCC1(C)CN(Cc2cscn2)CC[C@@]1(O)CN1CCOCC1
InChIInChI=1S/C16H27N3O2S/c1-15(2)11-19(9-14-10-22-13-17-14)4-3-16(15,20)12-18-5-7-21-8-6-18/h10,13,20H,3-9,11-12H2,1-2H3/t16-/m1/s1
InChIKeyFUZZKTRAQZSMEH-MRXNPFEDSA-N
XLogP1.44
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-ol
CID 72845510
(4R)-3,3-dimethyl-1-[(5-methylfuran-2-yl)methyl]-4-(morpholin-4-ylmethyl)piperidin-4-ol
CID 97125091
(4S)-3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-4-ol
CID 97146942
1-[(2,6-dimethoxyphenyl)methyl]-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-4-ol
CID 72868378
3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol
CID 72840804
(4S)-3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol
CID 97132110
3-propan-2-yl-1-(1,3-thiazol-4-ylmethyl)pyrrolidine-3-carboxylic acid
CID 106984198
4-[[(3S)-3-fluoro-3-methylpiperidin-1-yl]methyl]-1,3-thiazole
CID 129488154
(5S,6S)-8-(1,3-thiazol-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-6-ol
CID 110155828
3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(1,3-thiazol-4-ylmethyl)pyrrolidine-3-carboxylic acid
CID 107322197
4-methyl-N-(1,3-thiazol-4-ylmethyl)oxan-4-amine
CID 115758149
(4S)-3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-(5-propyl-1,3,4-thiadiazol-2-yl)piperidin-4-ol
CID 97128489

Frequently Asked Questions

What is the IUPAC name of (4S)-3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-ol?
The IUPAC name of (4S)-3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-ol (CID 97110053) is (4S)-3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-ol.
What is the SMILES notation for (4S)-3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-ol?
The canonical SMILES for (4S)-3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-ol is CC1(C)CN(Cc2cscn2)CC[C@@]1(O)CN1CCOCC1.
What is the InChIKey of (4S)-3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-ol?
The InChIKey is FUZZKTRAQZSMEH-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H27N3O2S/c1-15(2)11-19(9-14-10-22-13-17-14)4-3-16(15,20)12-18-5-7-21-8-6-18/h10,13,20H,3-9,11-12H2,1-2H3/t16-/m1/s1.
What are the key properties of (4S)-3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-ol?
(4S)-3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-ol has a molecular weight of 325.48 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-ol is sourced from PubChem (CID 97110053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).