N-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]propan-1-amine

C14H24N2S — CID 107555665

IUPACN-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(CN2CCCCC2)s1
InChIInChI=1S/C14H24N2S/c1-2-8-15-11-13-6-7-14(17-13)12-16-9-4-3-5-10-16/h6-7,15H,2-5,8-12H2,1H3
InChIKeyUTFYWUMWCYCECP-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.23
Rot. Bonds6

About N-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]propan-1-amine

N-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]propan-1-amine (PubChem CID 107555665) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]propan-1-amine
PubChem CID107555665
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(CN2CCCCC2)s1
InChIInChI=1S/C14H24N2S/c1-2-8-15-11-13-6-7-14(17-13)12-16-9-4-3-5-10-16/h6-7,15H,2-5,8-12H2,1H3
InChIKeyUTFYWUMWCYCECP-UHFFFAOYSA-N
XLogP3.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-[(4-propan-2-ylazepan-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107556991
N-[[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107555987
N-[[5-[(4-tert-butylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107555450
N-[[5-[(3,3-dimethylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107557194
N-[[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82424672
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propan-1-amine
CID 55069752
N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107556729
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propan-1-amine
CID 55070158
N-[[3-(piperidin-1-ylmethyl)furan-2-yl]methyl]propan-1-amine
CID 62424704
[5-(piperidin-1-ylmethyl)thiophen-2-yl]methanol
CID 14026222
N-[[2-(azepan-1-ylmethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82425126
N-[[5-(methoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107558011

Frequently Asked Questions

What is the IUPAC name of N-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]propan-1-amine (CID 107555665) is N-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]propan-1-amine is CCCNCc1ccc(CN2CCCCC2)s1.
What is the InChIKey of N-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]propan-1-amine?
The InChIKey is UTFYWUMWCYCECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-2-8-15-11-13-6-7-14(17-13)12-16-9-4-3-5-10-16/h6-7,15H,2-5,8-12H2,1H3.
What are the key properties of N-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]propan-1-amine?
N-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]propan-1-amine has a molecular weight of 252.43 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 107555665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).