(R)-[1-[(5-tert-butylthiophen-2-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol

C19H29N3OS — CID 124516622

IUPAC(R)-[1-[(5-tert-butylthiophen-2-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1[C@H](O)C1CCN(Cc2ccc(C(C)(C)C)s2)CC1
InChIInChI=1S/C19H29N3OS/c1-19(2,3)16-6-5-15(24-16)13-22-10-7-14(8-11-22)17(23)18-20-9-12-21(18)4/h5-6,9,12,14,17,23H,7-8,10-11,13H2,1-4H3/t17-/m1/s1
InChIKeyDBGUWJCIQQQSMC-QGZVFWFLSA-N
MW347.53 g/mol
LogP3.72
Rot. Bonds4

About (R)-[1-[(5-tert-butylthiophen-2-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol

(R)-[1-[(5-tert-butylthiophen-2-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol (PubChem CID 124516622) has the molecular formula C19H29N3OS and a molecular weight of 347.53 g/mol. Its IUPAC name is (R)-[1-[(5-tert-butylthiophen-2-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name(R)-[1-[(5-tert-butylthiophen-2-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
PubChem CID124516622
Molecular FormulaC19H29N3OS
Molecular Weight347.53 g/mol
Exact Mass347.20
IUPAC Name(R)-[1-[(5-tert-butylthiophen-2-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1[C@H](O)C1CCN(Cc2ccc(C(C)(C)C)s2)CC1
InChIInChI=1S/C19H29N3OS/c1-19(2,3)16-6-5-15(24-16)13-22-10-7-14(8-11-22)17(23)18-20-9-12-21(18)4/h5-6,9,12,14,17,23H,7-8,10-11,13H2,1-4H3/t17-/m1/s1
InChIKeyDBGUWJCIQQQSMC-QGZVFWFLSA-N
XLogP3.72
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.53
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (R)-[1-[(5-tert-butylthiophen-2-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol with MolForge

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Related Compounds

[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 120900630
(S)-[1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 97092049
(R)-(1-methylimidazol-2-yl)-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanol
CID 99639116
[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 45236943
(1-methylimidazol-2-yl)-[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanol
CID 45230799
(S)-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 97159643
(R)-(1-methylimidazol-2-yl)-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]methanol
CID 99931995
(R)-(1-methylimidazol-2-yl)-(1-propan-2-ylpiperidin-4-yl)methanol
CID 176633384
[1-[(3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 171909909
3-chloro-5-[[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]phenol
CID 136568437
6-[[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]pyridine-2-carboxylic acid
CID 99928460
[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 77078802

Frequently Asked Questions

What is the IUPAC name of (R)-[1-[(5-tert-butylthiophen-2-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The IUPAC name of (R)-[1-[(5-tert-butylthiophen-2-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol (CID 124516622) is (R)-[1-[(5-tert-butylthiophen-2-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol.
What is the SMILES notation for (R)-[1-[(5-tert-butylthiophen-2-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The canonical SMILES for (R)-[1-[(5-tert-butylthiophen-2-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol is Cn1ccnc1[C@H](O)C1CCN(Cc2ccc(C(C)(C)C)s2)CC1.
What is the InChIKey of (R)-[1-[(5-tert-butylthiophen-2-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The InChIKey is DBGUWJCIQQQSMC-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H29N3OS/c1-19(2,3)16-6-5-15(24-16)13-22-10-7-14(8-11-22)17(23)18-20-9-12-21(18)4/h5-6,9,12,14,17,23H,7-8,10-11,13H2,1-4H3/t17-/m1/s1.
What are the key properties of (R)-[1-[(5-tert-butylthiophen-2-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
(R)-[1-[(5-tert-butylthiophen-2-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol has a molecular weight of 347.53 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[1-[(5-tert-butylthiophen-2-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 124516622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).