1-[[4-(dimethylamino)phenyl]methyl]-N-(3-methylbut-2-enyl)piperidin-4-amine

C19H31N3 — CID 71496545

IUPAC1-[[4-(dimethylamino)phenyl]methyl]-N-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCC(C)=CCNC1CCN(Cc2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C19H31N3/c1-16(2)9-12-20-18-10-13-22(14-11-18)15-17-5-7-19(8-6-17)21(3)4/h5-9,18,20H,10-15H2,1-4H3
InChIKeyHUARRQJVWPMIHX-UHFFFAOYSA-N
MW301.48 g/mol
LogP3.27
Rot. Bonds6

About 1-[[4-(dimethylamino)phenyl]methyl]-N-(3-methylbut-2-enyl)piperidin-4-amine

1-[[4-(dimethylamino)phenyl]methyl]-N-(3-methylbut-2-enyl)piperidin-4-amine (PubChem CID 71496545) has the molecular formula C19H31N3 and a molecular weight of 301.48 g/mol. Its IUPAC name is 1-[[4-(dimethylamino)phenyl]methyl]-N-(3-methylbut-2-enyl)piperidin-4-amine.

Molecular Properties

Compound Name1-[[4-(dimethylamino)phenyl]methyl]-N-(3-methylbut-2-enyl)piperidin-4-amine
PubChem CID71496545
Molecular FormulaC19H31N3
Molecular Weight301.48 g/mol
Exact Mass301.25
IUPAC Name1-[[4-(dimethylamino)phenyl]methyl]-N-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCC(C)=CCNC1CCN(Cc2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C19H31N3/c1-16(2)9-12-20-18-10-13-22(14-11-18)15-17-5-7-19(8-6-17)21(3)4/h5-9,18,20H,10-15H2,1-4H3
InChIKeyHUARRQJVWPMIHX-UHFFFAOYSA-N
XLogP3.27
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-3-ol
CID 103881907
4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-N,N-dimethylaniline
CID 54793610
3-(1-benzylpiperidin-4-yl)-1-[[4-(dimethylamino)phenyl]methyl]-1-methylurea
CID 55457360
1-N-(1-benzylpiperidin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 90316616
1-[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]ethanone
CID 30981259
N,N-dimethyl-2-[4-(3-methylbut-2-enylamino)piperidin-1-yl]acetamide
CID 103522748
1-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]piperidin-3-ol
CID 165424779
(3R)-1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-3-amine
CID 94339766
3-[4-(dimethylamino)phenyl]-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide
CID 91791895
2-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]oxyacetic acid
CID 65065662
N-methyl-1-[(4-methylphenyl)methyl]piperidin-4-amine
CID 43315345
4-[[4-(dimethylamino)phenyl]methylamino]cyclohexan-1-ol
CID 43178531

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(dimethylamino)phenyl]methyl]-N-(3-methylbut-2-enyl)piperidin-4-amine?
The IUPAC name of 1-[[4-(dimethylamino)phenyl]methyl]-N-(3-methylbut-2-enyl)piperidin-4-amine (CID 71496545) is 1-[[4-(dimethylamino)phenyl]methyl]-N-(3-methylbut-2-enyl)piperidin-4-amine.
What is the SMILES notation for 1-[[4-(dimethylamino)phenyl]methyl]-N-(3-methylbut-2-enyl)piperidin-4-amine?
The canonical SMILES for 1-[[4-(dimethylamino)phenyl]methyl]-N-(3-methylbut-2-enyl)piperidin-4-amine is CC(C)=CCNC1CCN(Cc2ccc(N(C)C)cc2)CC1.
What is the InChIKey of 1-[[4-(dimethylamino)phenyl]methyl]-N-(3-methylbut-2-enyl)piperidin-4-amine?
The InChIKey is HUARRQJVWPMIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3/c1-16(2)9-12-20-18-10-13-22(14-11-18)15-17-5-7-19(8-6-17)21(3)4/h5-9,18,20H,10-15H2,1-4H3.
What are the key properties of 1-[[4-(dimethylamino)phenyl]methyl]-N-(3-methylbut-2-enyl)piperidin-4-amine?
1-[[4-(dimethylamino)phenyl]methyl]-N-(3-methylbut-2-enyl)piperidin-4-amine has a molecular weight of 301.48 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(dimethylamino)phenyl]methyl]-N-(3-methylbut-2-enyl)piperidin-4-amine is sourced from PubChem (CID 71496545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).