(2R,4S)-1-benzyl-2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine

C18H25N3S — CID 96533537

IUPAC(2R,4S)-1-benzyl-2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine
SMILESCc1ncsc1CN[C@H]1CCN(Cc2ccccc2)[C@H](C)C1
InChIInChI=1S/C18H25N3S/c1-14-10-17(19-11-18-15(2)20-13-22-18)8-9-21(14)12-16-6-4-3-5-7-16/h3-7,13-14,17,19H,8-12H2,1-2H3/t14-,17+/m1/s1
InChIKeyRLDBTHYNMMIFNI-PBHICJAKSA-N
MW315.49 g/mol
LogP3.59
Rot. Bonds5

About (2R,4S)-1-benzyl-2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine

(2R,4S)-1-benzyl-2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine (PubChem CID 96533537) has the molecular formula C18H25N3S and a molecular weight of 315.49 g/mol. Its IUPAC name is (2R,4S)-1-benzyl-2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name(2R,4S)-1-benzyl-2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine
PubChem CID96533537
Molecular FormulaC18H25N3S
Molecular Weight315.49 g/mol
Exact Mass315.18
IUPAC Name(2R,4S)-1-benzyl-2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine
SMILESCc1ncsc1CN[C@H]1CCN(Cc2ccccc2)[C@H](C)C1
InChIInChI=1S/C18H25N3S/c1-14-10-17(19-11-18-15(2)20-13-22-18)8-9-21(14)12-16-6-4-3-5-7-16/h3-7,13-14,17,19H,8-12H2,1-2H3/t14-,17+/m1/s1
InChIKeyRLDBTHYNMMIFNI-PBHICJAKSA-N
XLogP3.59
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.49
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,4S)-1-benzyl-2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine with MolForge

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Related Compounds

1-(1-benzyl-2-methylpiperidin-4-yl)-2-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine
CID 109458286
N,1-dibenzyl-2-methylpiperidin-4-amine
CID 119029011
(2R,4R)-1-benzyl-N-(1H-imidazol-2-ylmethyl)-2-methylpiperidin-4-amine
CID 96564285
[5-[[(1-benzyl-2-methylpiperidin-4-yl)amino]methyl]furan-2-yl]methanol
CID 71975811
(1-benzyl-2-methylpiperidin-4-yl)cyanamide
CID 130964411
N-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptanamine
CID 60983764
cis-(1R,3S)-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]cyclopentan-1-ol
CID 131209084
2-amino-N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]acetamide
CID 124692107
1-(1-benzyl-2-methylpiperidin-4-yl)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylguanidine
CID 109458788
1-amino-3-(1-benzyl-2-methylpiperidin-4-yl)thiourea
CID 130834689
N-(1-benzyl-2-methylpiperidin-4-yl)-2-hydroxy-2-phenylacetamide
CID 71860677
N-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-2-(4-fluorophenoxy)acetamide
CID 96559160

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-1-benzyl-2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine?
The IUPAC name of (2R,4S)-1-benzyl-2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine (CID 96533537) is (2R,4S)-1-benzyl-2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine.
What is the SMILES notation for (2R,4S)-1-benzyl-2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine?
The canonical SMILES for (2R,4S)-1-benzyl-2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine is Cc1ncsc1CN[C@H]1CCN(Cc2ccccc2)[C@H](C)C1.
What is the InChIKey of (2R,4S)-1-benzyl-2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine?
The InChIKey is RLDBTHYNMMIFNI-PBHICJAKSA-N. The full InChI is InChI=1S/C18H25N3S/c1-14-10-17(19-11-18-15(2)20-13-22-18)8-9-21(14)12-16-6-4-3-5-7-16/h3-7,13-14,17,19H,8-12H2,1-2H3/t14-,17+/m1/s1.
What are the key properties of (2R,4S)-1-benzyl-2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine?
(2R,4S)-1-benzyl-2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine has a molecular weight of 315.49 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-1-benzyl-2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 96533537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).