N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride

C19H31ClN2 — CID 119930879

IUPACN-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
SMILESCCCN(CC1CCNCC1)C1CCc2ccccc2C1.Cl
InChIInChI=1S/C19H30N2.ClH/c1-2-13-21(15-16-9-11-20-12-10-16)19-8-7-17-5-3-4-6-18(17)14-19;/h3-6,16,19-20H,2,7-15H2,1H3;1H
InChIKeyOXVSPEWPHVVGBF-UHFFFAOYSA-N
MW322.92 g/mol
LogP3.68
Rot. Bonds5

About N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride

N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride (PubChem CID 119930879) has the molecular formula C19H31ClN2 and a molecular weight of 322.92 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
PubChem CID119930879
Molecular FormulaC19H31ClN2
Molecular Weight322.92 g/mol
Exact Mass322.22
IUPAC NameN-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
SMILESCCCN(CC1CCNCC1)C1CCc2ccccc2C1.Cl
InChIInChI=1S/C19H30N2.ClH/c1-2-13-21(15-16-9-11-20-12-10-16)19-8-7-17-5-3-4-6-18(17)14-19;/h3-6,16,19-20H,2,7-15H2,1H3;1H
InChIKeyOXVSPEWPHVVGBF-UHFFFAOYSA-N
XLogP3.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.92
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The IUPAC name of N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride (CID 119930879) is N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The canonical SMILES for N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride is CCCN(CC1CCNCC1)C1CCc2ccccc2C1.Cl.
What is the InChIKey of N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The InChIKey is OXVSPEWPHVVGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2.ClH/c1-2-13-21(15-16-9-11-20-12-10-16)19-8-7-17-5-3-4-6-18(17)14-19;/h3-6,16,19-20H,2,7-15H2,1H3;1H.
What are the key properties of N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride has a molecular weight of 322.92 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride is sourced from PubChem (CID 119930879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).