1-methyl-4-[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]piperidine

C21H35N3S — CID 56901814

IUPAC1-methyl-4-[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]piperidine
SMILESCN1CCC(C2CCN(Cc3cc(CN4CCCC4)cs3)CC2)CC1
InChIInChI=1S/C21H35N3S/c1-22-10-4-19(5-11-22)20-6-12-24(13-7-20)16-21-14-18(17-25-21)15-23-8-2-3-9-23/h14,17,19-20H,2-13,15-16H2,1H3
InChIKeyUPUYYEZANFWOQF-UHFFFAOYSA-N
MW361.60 g/mol
LogP3.90
Rot. Bonds5

About 1-methyl-4-[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]piperidine

1-methyl-4-[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]piperidine (PubChem CID 56901814) has the molecular formula C21H35N3S and a molecular weight of 361.60 g/mol. Its IUPAC name is 1-methyl-4-[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]piperidine.

Molecular Properties

Compound Name1-methyl-4-[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]piperidine
PubChem CID56901814
Molecular FormulaC21H35N3S
Molecular Weight361.60 g/mol
Exact Mass361.26
IUPAC Name1-methyl-4-[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]piperidine
SMILESCN1CCC(C2CCN(Cc3cc(CN4CCCC4)cs3)CC2)CC1
InChIInChI=1S/C21H35N3S/c1-22-10-4-19(5-11-22)20-6-12-24(13-7-20)16-21-14-18(17-25-21)15-23-8-2-3-9-23/h14,17,19-20H,2-13,15-16H2,1H3
InChIKeyUPUYYEZANFWOQF-UHFFFAOYSA-N
XLogP3.90
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.60
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-1-[1-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]ethanamine
CID 70711258
N-[[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]methyl]acetamide
CID 70708646
1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 131896536
(1S,5R)-6-propyl-3-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 135096049
(2R)-1-methyl-2-phenyl-4-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]piperazine
CID 124752129
1-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-N,N-dimethylazepan-4-amine
CID 74251551
2-phenyl-1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidine
CID 135110379
3-[[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]oxymethyl]pyridine
CID 131932704
formic acid;5-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 154908867
2-[1-cyclopentyl-4-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperazin-2-yl]ethanol
CID 45220710
1-[(4-bromothiophen-2-yl)methyl]-4-methylpiperazine
CID 677218
1-[[5-[[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methyl]thiophen-3-yl]methyl]pyrrolidine
CID 99933692

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]piperidine?
The IUPAC name of 1-methyl-4-[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]piperidine (CID 56901814) is 1-methyl-4-[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]piperidine.
What is the SMILES notation for 1-methyl-4-[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]piperidine?
The canonical SMILES for 1-methyl-4-[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]piperidine is CN1CCC(C2CCN(Cc3cc(CN4CCCC4)cs3)CC2)CC1.
What is the InChIKey of 1-methyl-4-[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]piperidine?
The InChIKey is UPUYYEZANFWOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3S/c1-22-10-4-19(5-11-22)20-6-12-24(13-7-20)16-21-14-18(17-25-21)15-23-8-2-3-9-23/h14,17,19-20H,2-13,15-16H2,1H3.
What are the key properties of 1-methyl-4-[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]piperidine?
1-methyl-4-[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]piperidine has a molecular weight of 361.60 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]piperidine is sourced from PubChem (CID 56901814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).