1-benzyl-N-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylpiperidin-4-amine

C18H28N2O2 — CID 86799905

IUPAC1-benzyl-N-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylpiperidin-4-amine
SMILESCC1CN(Cc2ccccc2)CCC1NCCC1OCCO1
InChIInChI=1S/C18H28N2O2/c1-15-13-20(14-16-5-3-2-4-6-16)10-8-17(15)19-9-7-18-21-11-12-22-18/h2-6,15,17-19H,7-14H2,1H3
InChIKeyIQKZBDXEEZCGAL-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.25
Rot. Bonds6

About 1-benzyl-N-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylpiperidin-4-amine

1-benzyl-N-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylpiperidin-4-amine (PubChem CID 86799905) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-benzyl-N-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylpiperidin-4-amine
PubChem CID86799905
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-benzyl-N-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylpiperidin-4-amine
SMILESCC1CN(Cc2ccccc2)CCC1NCCC1OCCO1
InChIInChI=1S/C18H28N2O2/c1-15-13-20(14-16-5-3-2-4-6-16)10-8-17(15)19-9-7-18-21-11-12-22-18/h2-6,15,17-19H,7-14H2,1H3
InChIKeyIQKZBDXEEZCGAL-UHFFFAOYSA-N
XLogP2.25
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-1-benzyl-N-[2-(1,3-dioxolan-2-yl)ethyl]-N,3-dimethylpiperidin-4-amine
CID 99606871
(3R,4R)-1-ethyl-3-methyl-N-(2-phenylethyl)piperidin-4-amine
CID 97321645
tert-butyl N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]carbamate
CID 69019941
N-(1-benzyl-3-methylpiperidin-4-yl)furan-2-carboxamide
CID 136512736
3-[[3-methyl-4-(propylamino)piperidin-1-yl]methyl]phenol
CID 114499438
N-[(3S,4R)-1-benzyl-3-methylpiperidin-4-yl]-3-methoxypropanamide
CID 98773554
1-benzyl-3-methyl-N-[(1-methylbenzotriazol-4-yl)methyl]piperidin-4-amine
CID 166311227
(3S,4S)-1-benzyl-4-chloro-3-methylpiperidine
CID 97176910
1-benzyl-N-(1,3-dioxolan-2-ylmethyl)piperidin-4-amine
CID 69192482
N-(1-benzyl-3-methylpiperidin-4-yl)pyridin-2-amine
CID 130893109
(1-benzyl-3-methylpiperidin-4-yl)methanol
CID 130927897
(3S,4S)-1-benzyl-3-methylpiperidin-4-amine
CID 34178997

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylpiperidin-4-amine?
The IUPAC name of 1-benzyl-N-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylpiperidin-4-amine (CID 86799905) is 1-benzyl-N-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylpiperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylpiperidin-4-amine?
The canonical SMILES for 1-benzyl-N-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylpiperidin-4-amine is CC1CN(Cc2ccccc2)CCC1NCCC1OCCO1.
What is the InChIKey of 1-benzyl-N-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylpiperidin-4-amine?
The InChIKey is IQKZBDXEEZCGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-15-13-20(14-16-5-3-2-4-6-16)10-8-17(15)19-9-7-18-21-11-12-22-18/h2-6,15,17-19H,7-14H2,1H3.
What are the key properties of 1-benzyl-N-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylpiperidin-4-amine?
1-benzyl-N-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylpiperidin-4-amine has a molecular weight of 304.43 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylpiperidin-4-amine is sourced from PubChem (CID 86799905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).