(2R)-1-methyl-2-phenyl-4-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]piperazine

C22H31N3S — CID 124752129

IUPAC(2R)-1-methyl-2-phenyl-4-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]piperazine
SMILESCN1CCN(Cc2cc(CN3CCCCC3)cs2)C[C@H]1c1ccccc1
InChIInChI=1S/C22H31N3S/c1-23-12-13-25(17-22(23)20-8-4-2-5-9-20)16-21-14-19(18-26-21)15-24-10-6-3-7-11-24/h2,4-5,8-9,14,18,22H,3,6-7,10-13,15-17H2,1H3/t22-/m0/s1
InChIKeyIMFKZPTWPYEMSD-QFIPXVFZSA-N
MW369.58 g/mol
LogP4.22
Rot. Bonds5

About (2R)-1-methyl-2-phenyl-4-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]piperazine

(2R)-1-methyl-2-phenyl-4-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]piperazine (PubChem CID 124752129) has the molecular formula C22H31N3S and a molecular weight of 369.58 g/mol. Its IUPAC name is (2R)-1-methyl-2-phenyl-4-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]piperazine.

Molecular Properties

Compound Name(2R)-1-methyl-2-phenyl-4-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]piperazine
PubChem CID124752129
Molecular FormulaC22H31N3S
Molecular Weight369.58 g/mol
Exact Mass369.22
IUPAC Name(2R)-1-methyl-2-phenyl-4-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]piperazine
SMILESCN1CCN(Cc2cc(CN3CCCCC3)cs2)C[C@H]1c1ccccc1
InChIInChI=1S/C22H31N3S/c1-23-12-13-25(17-22(23)20-8-4-2-5-9-20)16-21-14-19(18-26-21)15-24-10-6-3-7-11-24/h2,4-5,8-9,14,18,22H,3,6-7,10-13,15-17H2,1H3/t22-/m0/s1
InChIKeyIMFKZPTWPYEMSD-QFIPXVFZSA-N
XLogP4.22
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.58
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidine
CID 135110379
1-methyl-4-[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]piperidine
CID 56901814
N,N-dimethyl-1-[1-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]ethanamine
CID 70711258
1-[[5-[[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methyl]thiophen-3-yl]methyl]pyrrolidine
CID 99933692
2-(4-fluorophenyl)-4-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]morpholine
CID 135091119
1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 131896536
(2R)-1-methyl-2-phenyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine
CID 124757280
5-[[(3R)-4-methyl-3-phenylpiperazin-1-yl]methyl]-N-propylpyrimidin-2-amine
CID 99926346
(2R)-4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-methyl-2-phenylpiperazine
CID 100597337
formic acid;2-(4-methyl-3-phenylpiperazin-1-yl)-1-piperidin-1-ylethanone
CID 171688367
[5-[[(3R)-4-methyl-3-phenylpiperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone
CID 124758325
2-[1-cyclopentyl-4-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperazin-2-yl]ethanol
CID 45220710

Frequently Asked Questions

What is the IUPAC name of (2R)-1-methyl-2-phenyl-4-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]piperazine?
The IUPAC name of (2R)-1-methyl-2-phenyl-4-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]piperazine (CID 124752129) is (2R)-1-methyl-2-phenyl-4-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]piperazine.
What is the SMILES notation for (2R)-1-methyl-2-phenyl-4-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]piperazine?
The canonical SMILES for (2R)-1-methyl-2-phenyl-4-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]piperazine is CN1CCN(Cc2cc(CN3CCCCC3)cs2)C[C@H]1c1ccccc1.
What is the InChIKey of (2R)-1-methyl-2-phenyl-4-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]piperazine?
The InChIKey is IMFKZPTWPYEMSD-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H31N3S/c1-23-12-13-25(17-22(23)20-8-4-2-5-9-20)16-21-14-19(18-26-21)15-24-10-6-3-7-11-24/h2,4-5,8-9,14,18,22H,3,6-7,10-13,15-17H2,1H3/t22-/m0/s1.
What are the key properties of (2R)-1-methyl-2-phenyl-4-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]piperazine?
(2R)-1-methyl-2-phenyl-4-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]piperazine has a molecular weight of 369.58 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methyl-2-phenyl-4-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]piperazine is sourced from PubChem (CID 124752129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).