N,N-dimethyl-1-[1-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]ethanamine

C20H35N3S — CID 70711258

IUPACN,N-dimethyl-1-[1-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]ethanamine
SMILESCC(C1CCN(Cc2cc(CN3CCCCC3)cs2)CC1)N(C)C
InChIInChI=1S/C20H35N3S/c1-17(21(2)3)19-7-11-23(12-8-19)15-20-13-18(16-24-20)14-22-9-5-4-6-10-22/h13,16-17,19H,4-12,14-15H2,1-3H3
InChIKeyUVDHMQSCSUGYKM-UHFFFAOYSA-N
MW349.59 g/mol
LogP3.90
Rot. Bonds6

About N,N-dimethyl-1-[1-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]ethanamine

N,N-dimethyl-1-[1-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]ethanamine (PubChem CID 70711258) has the molecular formula C20H35N3S and a molecular weight of 349.59 g/mol. Its IUPAC name is N,N-dimethyl-1-[1-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[1-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]ethanamine
PubChem CID70711258
Molecular FormulaC20H35N3S
Molecular Weight349.59 g/mol
Exact Mass349.26
IUPAC NameN,N-dimethyl-1-[1-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]ethanamine
SMILESCC(C1CCN(Cc2cc(CN3CCCCC3)cs2)CC1)N(C)C
InChIInChI=1S/C20H35N3S/c1-17(21(2)3)19-7-11-23(12-8-19)15-20-13-18(16-24-20)14-22-9-5-4-6-10-22/h13,16-17,19H,4-12,14-15H2,1-3H3
InChIKeyUVDHMQSCSUGYKM-UHFFFAOYSA-N
XLogP3.90
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.59
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]piperidine
CID 56901814
1-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-N,N-dimethylazepan-4-amine
CID 74251551
N-[[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]methyl]acetamide
CID 70708646
(2R)-1-methyl-2-phenyl-4-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]piperazine
CID 124752129
1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 131896536
2-phenyl-1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidine
CID 135110379
1-[(3R,4S)-4-hydroxy-1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134709129
1-[1-[(4-bromothiophen-2-yl)methyl]piperidin-4-yl]ethanamine
CID 63594782
3-[[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]oxymethyl]pyridine
CID 131932704
(1S,5R)-6-propyl-3-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 135096049
1-[5-[[4-(ethoxymethyl)piperidin-1-yl]methyl]thiophen-3-yl]-N,N-dimethylmethanamine
CID 77082788
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 N,N-dimethyl-1-[1-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]ethanamine?
The IUPAC name of N,N-dimethyl-1-[1-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]ethanamine (CID 70711258) is N,N-dimethyl-1-[1-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-1-[1-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-1-[1-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]ethanamine is CC(C1CCN(Cc2cc(CN3CCCCC3)cs2)CC1)N(C)C.
What is the InChIKey of N,N-dimethyl-1-[1-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]ethanamine?
The InChIKey is UVDHMQSCSUGYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3S/c1-17(21(2)3)19-7-11-23(12-8-19)15-20-13-18(16-24-20)14-22-9-5-4-6-10-22/h13,16-17,19H,4-12,14-15H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[1-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]ethanamine?
N,N-dimethyl-1-[1-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]ethanamine has a molecular weight of 349.59 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[1-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 70711258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).