(2R)-5-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine

C20H32N2O — CID 172562626

IUPAC(2R)-5-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN(CC1CCNCC1)[C@@H]1CCc2c(cccc2OC)C1
InChIInChI=1S/C20H32N2O/c1-3-13-22(15-16-9-11-21-12-10-16)18-7-8-19-17(14-18)5-4-6-20(19)23-2/h4-6,16,18,21H,3,7-15H2,1-2H3/t18-/m1/s1
InChIKeyLNIQMVOMGSIQJU-GOSISDBHSA-N
MW316.49 g/mol
LogP3.26
Rot. Bonds6

About (2R)-5-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine

(2R)-5-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 172562626) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is (2R)-5-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(2R)-5-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID172562626
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC Name(2R)-5-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN(CC1CCNCC1)[C@@H]1CCc2c(cccc2OC)C1
InChIInChI=1S/C20H32N2O/c1-3-13-22(15-16-9-11-21-12-10-16)18-7-8-19-17(14-18)5-4-6-20(19)23-2/h4-6,16,18,21H,3,7-15H2,1-2H3/t18-/m1/s1
InChIKeyLNIQMVOMGSIQJU-GOSISDBHSA-N
XLogP3.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

AJ 76
CID 122334
1-Cyclohexyl-4-(3-(5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl)-piperazine
CID 10474335
8-Methoxy-2-aminotetralin
CID 10197933
3,3-Dimethyl-1-(3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-n-propyl)piperidine
CID 10245193
UH 232
CID 123696
2-Amino-5-methoxytetralin
CID 11469395
2-Acetamido-8-methoxytetralin
CID 3018920
1-Cyclohexyl-4-[3-((R)-5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-piperazine
CID 11152920
(1S,2R)-5-methoxy-1-methyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 6604756
1-(2-(3-Methoxyphenyl)-1-phenylethyl)piperazine
CID 13904719
1-[4-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-butyl]-3,3-dimethyl-piperidine
CID 10595029
4-Benzyl-1-[3-(5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-piperidine
CID 10595772

Frequently Asked Questions

What is the IUPAC name of (2R)-5-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (2R)-5-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 172562626) is (2R)-5-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (2R)-5-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (2R)-5-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine is CCCN(CC1CCNCC1)[C@@H]1CCc2c(cccc2OC)C1.
What is the InChIKey of (2R)-5-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is LNIQMVOMGSIQJU-GOSISDBHSA-N. The full InChI is InChI=1S/C20H32N2O/c1-3-13-22(15-16-9-11-21-12-10-16)18-7-8-19-17(14-18)5-4-6-20(19)23-2/h4-6,16,18,21H,3,7-15H2,1-2H3/t18-/m1/s1.
What are the key properties of (2R)-5-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine?
(2R)-5-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 316.49 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 172562626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).