N-(cyclopropylmethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]piperidin-4-amine

C16H26N2S — CID 115306877

IUPACN-(cyclopropylmethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]piperidin-4-amine
SMILESCc1ccc(C(C)N2CCC(NCC3CC3)CC2)s1
InChIInChI=1S/C16H26N2S/c1-12-3-6-16(19-12)13(2)18-9-7-15(8-10-18)17-11-14-4-5-14/h3,6,13-15,17H,4-5,7-11H2,1-2H3
InChIKeyHDIUVQMWFUJMIQ-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.58
Rot. Bonds5

About N-(cyclopropylmethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]piperidin-4-amine

N-(cyclopropylmethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]piperidin-4-amine (PubChem CID 115306877) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]piperidin-4-amine
PubChem CID115306877
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC NameN-(cyclopropylmethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]piperidin-4-amine
SMILESCc1ccc(C(C)N2CCC(NCC3CC3)CC2)s1
InChIInChI=1S/C16H26N2S/c1-12-3-6-16(19-12)13(2)18-9-7-15(8-10-18)17-11-14-4-5-14/h3,6,13-15,17H,4-5,7-11H2,1-2H3
InChIKeyHDIUVQMWFUJMIQ-UHFFFAOYSA-N
XLogP3.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-[1-(5-methylthiophen-2-yl)ethyl]piperidin-4-amine
CID 54953677
N-[[1-[1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62511792
N-(cyclopropylmethyl)-1-[1-(2,4-dimethylphenyl)ethyl]piperidin-4-amine
CID 115306890
N-(cyclopropylmethyl)-1-[1-(2,5-dimethylphenyl)ethyl]piperidin-4-amine
CID 81494910
1-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethylpiperidin-4-amine
CID 54954672
4-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethyl]benzonitrile
CID 115306976
3-[1-[1-(5-methylthiophen-2-yl)ethyl]piperidin-4-yl]oxypropanoic acid
CID 65065819
N-(cyclopropylmethyl)-1-[1-(3-fluorophenyl)ethyl]piperidin-4-amine
CID 81493286
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone;hydrochloride
CID 119622352
N-[[1-[1-(5-ethylthiophen-2-yl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 80550991
N-[[1-[1-(5-methylthiophen-2-yl)ethyl]imidazol-4-yl]methyl]cyclopropanamine
CID 114204166
N-ethyl-8-[1-(5-methylthiophen-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 62740022

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]piperidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]piperidin-4-amine (CID 115306877) is N-(cyclopropylmethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]piperidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]piperidin-4-amine is Cc1ccc(C(C)N2CCC(NCC3CC3)CC2)s1.
What is the InChIKey of N-(cyclopropylmethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]piperidin-4-amine?
The InChIKey is HDIUVQMWFUJMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-12-3-6-16(19-12)13(2)18-9-7-15(8-10-18)17-11-14-4-5-14/h3,6,13-15,17H,4-5,7-11H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]piperidin-4-amine?
N-(cyclopropylmethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]piperidin-4-amine has a molecular weight of 278.46 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 115306877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).