2-(2-phenylethenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine;dihydrochloride

C17H26Cl2N2 — CID 153307593

IUPAC2-(2-phenylethenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine;dihydrochloride
SMILESC(=CC1CC1NCC1CCNCC1)c1ccccc1.Cl.Cl
InChIInChI=1S/C17H24N2.2ClH/c1-2-4-14(5-3-1)6-7-16-12-17(16)19-13-15-8-10-18-11-9-15;;/h1-7,15-19H,8-13H2;2*1H
InChIKeyQYIABICCJKMKJH-UHFFFAOYSA-N
MW329.31 g/mol
LogP3.52
Rot. Bonds5

About 2-(2-phenylethenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine;dihydrochloride

2-(2-phenylethenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine;dihydrochloride (PubChem CID 153307593) has the molecular formula C17H26Cl2N2 and a molecular weight of 329.31 g/mol. Its IUPAC name is 2-(2-phenylethenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine;dihydrochloride.

Molecular Properties

Compound Name2-(2-phenylethenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine;dihydrochloride
PubChem CID153307593
Molecular FormulaC17H26Cl2N2
Molecular Weight329.31 g/mol
Exact Mass328.15
IUPAC Name2-(2-phenylethenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine;dihydrochloride
SMILESC(=CC1CC1NCC1CCNCC1)c1ccccc1.Cl.Cl
InChIInChI=1S/C17H24N2.2ClH/c1-2-4-14(5-3-1)6-7-16-12-17(16)19-13-15-8-10-18-11-9-15;;/h1-7,15-19H,8-13H2;2*1H
InChIKeyQYIABICCJKMKJH-UHFFFAOYSA-N
XLogP3.52
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methanamine;2-[(E)-2-phenylethenyl]-N-(piperidin-4-ylmethyl)cyclopropan-1-amine
CID 145176283
2-[(E)-2-phenylethenyl]-N-(piperidin-4-ylmethyl)aziridin-1-amine
CID 138712121
2-methyl-1-[4-[[[2-[(E)-2-phenylethenyl]cyclopropyl]amino]methyl]piperidin-1-yl]propan-2-ol;bis(2,2,2-trifluoroacetic acid)
CID 138677639
4-N-[2-(2-phenylethenyl)cyclopropyl]cyclohexane-1,4-diamine;dihydrochloride
CID 135351315
2-[(E)-2-phenylethenyl]cyclopropan-1-amine;hydrochloride
CID 122640919
2-(4-phenylmethoxyphenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine
CID 78097199
tert-butyl 4-[[[2-[(E)-2-(2-fluorophenyl)ethenyl]cyclopropyl]amino]methyl]piperidine-1-carboxylate;tert-butyl formate;2-[(E)-2-(2-fluorophenyl)ethenyl]cyclopropan-1-amine;2-[(E)-2-(2-fluorophenyl)ethenyl]-N-(piperidin-4-ylmethyl)cyclopropan-1-amine;piperidine-4-carbaldehyde
CID 159396076
2-[(E)-2-phenylethenyl]cyclopropan-1-amine
CID 122640920
N-(piperidin-4-ylmethyl)pyridin-2-amine;trihydrochloride
CID 162422883
2-(4,4-dimethylpentyl)-N'-ethenyl-2-fluoro-N-[2-[(E)-2-phenylethenyl]cyclopropyl]butane-1,4-diamine
CID 138711219
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-methylazepan-4-amine
CID 128873847
(3S)-3-methyl-5-[(Z)-2-phenylethenyl]azepane
CID 142892623

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine;dihydrochloride?
The IUPAC name of 2-(2-phenylethenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine;dihydrochloride (CID 153307593) is 2-(2-phenylethenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine;dihydrochloride.
What is the SMILES notation for 2-(2-phenylethenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine;dihydrochloride?
The canonical SMILES for 2-(2-phenylethenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine;dihydrochloride is C(=CC1CC1NCC1CCNCC1)c1ccccc1.Cl.Cl.
What is the InChIKey of 2-(2-phenylethenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine;dihydrochloride?
The InChIKey is QYIABICCJKMKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2.2ClH/c1-2-4-14(5-3-1)6-7-16-12-17(16)19-13-15-8-10-18-11-9-15;;/h1-7,15-19H,8-13H2;2*1H.
What are the key properties of 2-(2-phenylethenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine;dihydrochloride?
2-(2-phenylethenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine;dihydrochloride has a molecular weight of 329.31 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine;dihydrochloride is sourced from PubChem (CID 153307593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).