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

C19H30N2O2 — CID 99606871

IUPAC(3S,4S)-1-benzyl-N-[2-(1,3-dioxolan-2-yl)ethyl]-N,3-dimethylpiperidin-4-amine
SMILESC[C@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)CCC1OCCO1
InChIInChI=1S/C19H30N2O2/c1-16-14-21(15-17-6-4-3-5-7-17)11-8-18(16)20(2)10-9-19-22-12-13-23-19/h3-7,16,18-19H,8-15H2,1-2H3/t16-,18-/m0/s1
InChIKeyRXUIKAGYYMDHRX-WMZOPIPTSA-N
MW318.46 g/mol
LogP2.59
Rot. Bonds6

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

(3S,4S)-1-benzyl-N-[2-(1,3-dioxolan-2-yl)ethyl]-N,3-dimethylpiperidin-4-amine (PubChem CID 99606871) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is (3S,4S)-1-benzyl-N-[2-(1,3-dioxolan-2-yl)ethyl]-N,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name(3S,4S)-1-benzyl-N-[2-(1,3-dioxolan-2-yl)ethyl]-N,3-dimethylpiperidin-4-amine
PubChem CID99606871
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name(3S,4S)-1-benzyl-N-[2-(1,3-dioxolan-2-yl)ethyl]-N,3-dimethylpiperidin-4-amine
SMILESC[C@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)CCC1OCCO1
InChIInChI=1S/C19H30N2O2/c1-16-14-21(15-17-6-4-3-5-7-17)11-8-18(16)20(2)10-9-19-22-12-13-23-19/h3-7,16,18-19H,8-15H2,1-2H3/t16-,18-/m0/s1
InChIKeyRXUIKAGYYMDHRX-WMZOPIPTSA-N
XLogP2.59
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N,N,3-trimethylpiperidin-4-amine
CID 71634856
1-benzyl-N-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylpiperidin-4-amine
CID 86799905
N-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-N-methyl-2-(methylamino)acetamide
CID 125145982
1-[(1-benzyl-3-methylpiperidin-4-yl)-methylamino]-3-propan-2-yloxypropan-2-ol
CID 111858533
(3R,4S)-1-benzyl-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)piperidin-4-amine
CID 96560100
N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]-2-ethoxy-N-methylacetamide
CID 124730164
1-(1-benzyl-3-methylpiperidin-4-yl)-1-methyl-3-prop-2-ynylurea
CID 71848262
1-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-1-methyl-3-prop-2-ynylurea
CID 96542989
(3S,4S)-1-benzyl-4-chloro-3-methylpiperidine
CID 97176910
(1-benzyl-3-methylpiperidin-4-yl)methanol
CID 130927897
(3S,4S)-1-benzyl-3-methylpiperidin-4-amine
CID 34178997
2-[[(3R)-1-benzylpyrrolidin-3-yl]-methylamino]ethanol
CID 66565025

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-benzyl-N-[2-(1,3-dioxolan-2-yl)ethyl]-N,3-dimethylpiperidin-4-amine?
The IUPAC name of (3S,4S)-1-benzyl-N-[2-(1,3-dioxolan-2-yl)ethyl]-N,3-dimethylpiperidin-4-amine (CID 99606871) is (3S,4S)-1-benzyl-N-[2-(1,3-dioxolan-2-yl)ethyl]-N,3-dimethylpiperidin-4-amine.
What is the SMILES notation for (3S,4S)-1-benzyl-N-[2-(1,3-dioxolan-2-yl)ethyl]-N,3-dimethylpiperidin-4-amine?
The canonical SMILES for (3S,4S)-1-benzyl-N-[2-(1,3-dioxolan-2-yl)ethyl]-N,3-dimethylpiperidin-4-amine is C[C@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)CCC1OCCO1.
What is the InChIKey of (3S,4S)-1-benzyl-N-[2-(1,3-dioxolan-2-yl)ethyl]-N,3-dimethylpiperidin-4-amine?
The InChIKey is RXUIKAGYYMDHRX-WMZOPIPTSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-16-14-21(15-17-6-4-3-5-7-17)11-8-18(16)20(2)10-9-19-22-12-13-23-19/h3-7,16,18-19H,8-15H2,1-2H3/t16-,18-/m0/s1.
What are the key properties of (3S,4S)-1-benzyl-N-[2-(1,3-dioxolan-2-yl)ethyl]-N,3-dimethylpiperidin-4-amine?
(3S,4S)-1-benzyl-N-[2-(1,3-dioxolan-2-yl)ethyl]-N,3-dimethylpiperidin-4-amine has a molecular weight of 318.46 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-benzyl-N-[2-(1,3-dioxolan-2-yl)ethyl]-N,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 99606871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).