N,N-dimethyl-1-[5-(1-phenylmethoxypiperidin-4-yl)thiophen-3-yl]methanamine

C19H26N2OS — CID 174408869

IUPACN,N-dimethyl-1-[5-(1-phenylmethoxypiperidin-4-yl)thiophen-3-yl]methanamine
SMILESCN(C)Cc1csc(C2CCN(OCc3ccccc3)CC2)c1
InChIInChI=1S/C19H26N2OS/c1-20(2)13-17-12-19(23-15-17)18-8-10-21(11-9-18)22-14-16-6-4-3-5-7-16/h3-7,12,15,18H,8-11,13-14H2,1-2H3
InChIKeyXGZDXRMHTBNJIK-UHFFFAOYSA-N
MW330.50 g/mol
LogP4.12
Rot. Bonds6

About N,N-dimethyl-1-[5-(1-phenylmethoxypiperidin-4-yl)thiophen-3-yl]methanamine

N,N-dimethyl-1-[5-(1-phenylmethoxypiperidin-4-yl)thiophen-3-yl]methanamine (PubChem CID 174408869) has the molecular formula C19H26N2OS and a molecular weight of 330.50 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-(1-phenylmethoxypiperidin-4-yl)thiophen-3-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[5-(1-phenylmethoxypiperidin-4-yl)thiophen-3-yl]methanamine
PubChem CID174408869
Molecular FormulaC19H26N2OS
Molecular Weight330.50 g/mol
Exact Mass330.18
IUPAC NameN,N-dimethyl-1-[5-(1-phenylmethoxypiperidin-4-yl)thiophen-3-yl]methanamine
SMILESCN(C)Cc1csc(C2CCN(OCc3ccccc3)CC2)c1
InChIInChI=1S/C19H26N2OS/c1-20(2)13-17-12-19(23-15-17)18-8-10-21(11-9-18)22-14-16-6-4-3-5-7-16/h3-7,12,15,18H,8-11,13-14H2,1-2H3
InChIKeyXGZDXRMHTBNJIK-UHFFFAOYSA-N
XLogP4.12
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-(1-phenylmethoxypiperidin-4-yl)thiophen-3-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[5-(1-phenylmethoxypiperidin-4-yl)thiophen-3-yl]methanamine (CID 174408869) is N,N-dimethyl-1-[5-(1-phenylmethoxypiperidin-4-yl)thiophen-3-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[5-(1-phenylmethoxypiperidin-4-yl)thiophen-3-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[5-(1-phenylmethoxypiperidin-4-yl)thiophen-3-yl]methanamine is CN(C)Cc1csc(C2CCN(OCc3ccccc3)CC2)c1.
What is the InChIKey of N,N-dimethyl-1-[5-(1-phenylmethoxypiperidin-4-yl)thiophen-3-yl]methanamine?
The InChIKey is XGZDXRMHTBNJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2OS/c1-20(2)13-17-12-19(23-15-17)18-8-10-21(11-9-18)22-14-16-6-4-3-5-7-16/h3-7,12,15,18H,8-11,13-14H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[5-(1-phenylmethoxypiperidin-4-yl)thiophen-3-yl]methanamine?
N,N-dimethyl-1-[5-(1-phenylmethoxypiperidin-4-yl)thiophen-3-yl]methanamine has a molecular weight of 330.50 g/mol, XLogP of 4.12, 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-[5-(1-phenylmethoxypiperidin-4-yl)thiophen-3-yl]methanamine is sourced from PubChem (CID 174408869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).