N-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-1-propylpiperidin-4-amine

C22H28N2O2 — CID 110244469

IUPACN-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NCc2ccc3c(c2)OCO3)C(c2ccccc2)C1
InChIInChI=1S/C22H28N2O2/c1-2-11-24-12-10-20(19(15-24)18-6-4-3-5-7-18)23-14-17-8-9-21-22(13-17)26-16-25-21/h3-9,13,19-20,23H,2,10-12,14-16H2,1H3
InChIKeyWMANITIIZRLGFQ-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.77
Rot. Bonds6

About N-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-1-propylpiperidin-4-amine

N-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-1-propylpiperidin-4-amine (PubChem CID 110244469) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-1-propylpiperidin-4-amine
PubChem CID110244469
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NCc2ccc3c(c2)OCO3)C(c2ccccc2)C1
InChIInChI=1S/C22H28N2O2/c1-2-11-24-12-10-20(19(15-24)18-6-4-3-5-7-18)23-14-17-8-9-21-22(13-17)26-16-25-21/h3-9,13,19-20,23H,2,10-12,14-16H2,1H3
InChIKeyWMANITIIZRLGFQ-UHFFFAOYSA-N
XLogP3.77
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-N-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-3-phenylpiperidin-4-amine
CID 124909525
(2S,3S)-N-(1,3-benzodioxol-5-ylmethyl)-2-phenylpiperidin-3-amine
CID 57162412
2-(1,3-benzodioxol-5-yl)-N-(1-propylpiperidin-4-yl)acetamide
CID 86822757
[(3S,4S)-1-benzyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-3-yl]methanol
CID 98790961
N-(1,3-benzodioxol-5-ylmethyl)-2-methylcyclohexan-1-amine
CID 2852722
N-(1,3-benzodioxol-5-ylmethyl)-2-tert-butylcyclohexan-1-amine
CID 43078372
(3R,4R)-1-benzyl-N-[(2-chlorophenyl)methyl]-3-phenylpiperidin-4-amine
CID 7441557
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1,3-dimethylpiperidin-4-amine
CID 115716425
(1S,2R,3R)-N-(1,3-benzodioxol-5-ylmethyl)-2,3-dimethylcyclohexan-1-amine
CID 11882183
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide;hydrochloride
CID 120761926
N-(1,3-benzodioxol-5-ylmethyl)-1,5-dimethylpyrrolidin-3-amine
CID 81300420
N-(1,3-benzodioxol-5-ylmethyl)-2,3,4,4a,9,9a-hexahydro-1H-carbazol-1-amine
CID 70993058

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-1-propylpiperidin-4-amine?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-1-propylpiperidin-4-amine (CID 110244469) is N-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-1-propylpiperidin-4-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-1-propylpiperidin-4-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-1-propylpiperidin-4-amine is CCCN1CCC(NCc2ccc3c(c2)OCO3)C(c2ccccc2)C1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-1-propylpiperidin-4-amine?
The InChIKey is WMANITIIZRLGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-2-11-24-12-10-20(19(15-24)18-6-4-3-5-7-18)23-14-17-8-9-21-22(13-17)26-16-25-21/h3-9,13,19-20,23H,2,10-12,14-16H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-1-propylpiperidin-4-amine?
N-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-1-propylpiperidin-4-amine has a molecular weight of 352.48 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-1-propylpiperidin-4-amine is sourced from PubChem (CID 110244469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).