2-methyl-N-(piperidin-4-ylmethyl)-N-propyl-1-thiophen-2-ylpropan-1-amine

C17H30N2S — CID 79715760

IUPAC2-methyl-N-(piperidin-4-ylmethyl)-N-propyl-1-thiophen-2-ylpropan-1-amine
SMILESCCCN(CC1CCNCC1)C(c1cccs1)C(C)C
InChIInChI=1S/C17H30N2S/c1-4-11-19(13-15-7-9-18-10-8-15)17(14(2)3)16-6-5-12-20-16/h5-6,12,14-15,17-18H,4,7-11,13H2,1-3H3
InChIKeyBJINEPMWSOPRRD-UHFFFAOYSA-N
MW294.51 g/mol
LogP4.16
Rot. Bonds7

About 2-methyl-N-(piperidin-4-ylmethyl)-N-propyl-1-thiophen-2-ylpropan-1-amine

2-methyl-N-(piperidin-4-ylmethyl)-N-propyl-1-thiophen-2-ylpropan-1-amine (PubChem CID 79715760) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is 2-methyl-N-(piperidin-4-ylmethyl)-N-propyl-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(piperidin-4-ylmethyl)-N-propyl-1-thiophen-2-ylpropan-1-amine
PubChem CID79715760
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC Name2-methyl-N-(piperidin-4-ylmethyl)-N-propyl-1-thiophen-2-ylpropan-1-amine
SMILESCCCN(CC1CCNCC1)C(c1cccs1)C(C)C
InChIInChI=1S/C17H30N2S/c1-4-11-19(13-15-7-9-18-10-8-15)17(14(2)3)16-6-5-12-20-16/h5-6,12,14-15,17-18H,4,7-11,13H2,1-3H3
InChIKeyBJINEPMWSOPRRD-UHFFFAOYSA-N
XLogP4.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(cyclopropylmethyl)-1-N-propyl-1-thiophen-2-ylpropane-1,2-diamine
CID 55021714
N-(piperidin-4-ylmethyl)-N-(2-thiophen-2-ylethyl)propan-2-amine
CID 79713906
N-[1-(5-ethylthiophen-2-yl)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79715260
2-[1-[piperidin-4-ylmethyl(propyl)amino]ethyl]phenol
CID 79715840
2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
CID 106605144
1-N-(cyclopropylmethyl)-1-N-ethyl-1-thiophen-2-ylbutane-1,2-diamine
CID 63955105
N-[1-(3,4-dichlorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79697530
N-(piperidin-4-ylmethyl)-N-propylnonan-2-amine
CID 79715186
4-[1-[piperidin-4-ylmethyl(propyl)amino]ethyl]benzene-1,3-diol
CID 79696967
N-methyl-2-piperidin-4-yl-1-thiophen-2-ylethanamine
CID 116951783
1-(4-bromothiophen-2-yl)-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine
CID 107355045
N'-(cyclopropylmethyl)-N'-propan-2-yl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62556875

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(piperidin-4-ylmethyl)-N-propyl-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of 2-methyl-N-(piperidin-4-ylmethyl)-N-propyl-1-thiophen-2-ylpropan-1-amine (CID 79715760) is 2-methyl-N-(piperidin-4-ylmethyl)-N-propyl-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-(piperidin-4-ylmethyl)-N-propyl-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 2-methyl-N-(piperidin-4-ylmethyl)-N-propyl-1-thiophen-2-ylpropan-1-amine is CCCN(CC1CCNCC1)C(c1cccs1)C(C)C.
What is the InChIKey of 2-methyl-N-(piperidin-4-ylmethyl)-N-propyl-1-thiophen-2-ylpropan-1-amine?
The InChIKey is BJINEPMWSOPRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-4-11-19(13-15-7-9-18-10-8-15)17(14(2)3)16-6-5-12-20-16/h5-6,12,14-15,17-18H,4,7-11,13H2,1-3H3.
What are the key properties of 2-methyl-N-(piperidin-4-ylmethyl)-N-propyl-1-thiophen-2-ylpropan-1-amine?
2-methyl-N-(piperidin-4-ylmethyl)-N-propyl-1-thiophen-2-ylpropan-1-amine has a molecular weight of 294.51 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(piperidin-4-ylmethyl)-N-propyl-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 79715760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).