(E)-2-methyl-1-[4-(piperidin-1-ylmethyl)phenyl]but-1-en-1-amine

C17H26N2 — CID 165134866

IUPAC(E)-2-methyl-1-[4-(piperidin-1-ylmethyl)phenyl]but-1-en-1-amine
SMILESCC/C(C)=C(/N)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C17H26N2/c1-3-14(2)17(18)16-9-7-15(8-10-16)13-19-11-5-4-6-12-19/h7-10H,3-6,11-13,18H2,1-2H3/b17-14+
InChIKeyGRTDEBNQORHCFN-SAPNQHFASA-N
MW258.41 g/mol
LogP3.77
Rot. Bonds4

About (E)-2-methyl-1-[4-(piperidin-1-ylmethyl)phenyl]but-1-en-1-amine

(E)-2-methyl-1-[4-(piperidin-1-ylmethyl)phenyl]but-1-en-1-amine (PubChem CID 165134866) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is (E)-2-methyl-1-[4-(piperidin-1-ylmethyl)phenyl]but-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-methyl-1-[4-(piperidin-1-ylmethyl)phenyl]but-1-en-1-amine
PubChem CID165134866
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name(E)-2-methyl-1-[4-(piperidin-1-ylmethyl)phenyl]but-1-en-1-amine
SMILESCC/C(C)=C(/N)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C17H26N2/c1-3-14(2)17(18)16-9-7-15(8-10-16)13-19-11-5-4-6-12-19/h7-10H,3-6,11-13,18H2,1-2H3/b17-14+
InChIKeyGRTDEBNQORHCFN-SAPNQHFASA-N
XLogP3.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-methylmethanimidamide;(E)-2-methyl-1-[4-(piperidin-1-ylmethyl)phenyl]but-1-en-1-amine
CID 165134865
4-(pyrrolidin-1-ylmethyl)benzenecarbothioamide
CID 24698734
4-(azepan-1-ylmethyl)-N'-hydroxybenzenecarboximidamide
CID 24701931
1-[(4-methylphenyl)methyl]azepane
CID 3951815
4-(azacyclododec-1-ylmethyl)aniline
CID 70405299
2,2-dimethyl-1-[4-(piperidin-1-ylmethyl)phenyl]propan-1-one
CID 158551228
methyl 4-(azocan-1-ylmethyl)benzoate
CID 28829596
ethyl 4-oxo-4-[4-(piperidin-1-ylmethyl)phenyl]butanoate
CID 24724324
4-(azepan-1-ylmethyl)-N-propylbenzamide
CID 43924202
ethane;1-[(4-methylphenyl)methyl]piperidine
CID 143603243
1-[[4-(bromomethyl)phenyl]methyl]piperidine;hydrobromide
CID 163358516
4-(piperidin-1-ylmethyl)-N'-(2,2,2-trifluoroethylamino)benzenecarboximidamide
CID 165134897

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-1-[4-(piperidin-1-ylmethyl)phenyl]but-1-en-1-amine?
The IUPAC name of (E)-2-methyl-1-[4-(piperidin-1-ylmethyl)phenyl]but-1-en-1-amine (CID 165134866) is (E)-2-methyl-1-[4-(piperidin-1-ylmethyl)phenyl]but-1-en-1-amine.
What is the SMILES notation for (E)-2-methyl-1-[4-(piperidin-1-ylmethyl)phenyl]but-1-en-1-amine?
The canonical SMILES for (E)-2-methyl-1-[4-(piperidin-1-ylmethyl)phenyl]but-1-en-1-amine is CC/C(C)=C(/N)c1ccc(CN2CCCCC2)cc1.
What is the InChIKey of (E)-2-methyl-1-[4-(piperidin-1-ylmethyl)phenyl]but-1-en-1-amine?
The InChIKey is GRTDEBNQORHCFN-SAPNQHFASA-N. The full InChI is InChI=1S/C17H26N2/c1-3-14(2)17(18)16-9-7-15(8-10-16)13-19-11-5-4-6-12-19/h7-10H,3-6,11-13,18H2,1-2H3/b17-14+.
What are the key properties of (E)-2-methyl-1-[4-(piperidin-1-ylmethyl)phenyl]but-1-en-1-amine?
(E)-2-methyl-1-[4-(piperidin-1-ylmethyl)phenyl]but-1-en-1-amine has a molecular weight of 258.41 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-1-[4-(piperidin-1-ylmethyl)phenyl]but-1-en-1-amine is sourced from PubChem (CID 165134866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).