N-methyl-1-[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]methanamine;hydrochloride

C19H27ClN2 — CID 119922301

IUPACN-methyl-1-[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]methanamine;hydrochloride
SMILESCNCC1CCN(C(C)c2ccc3ccccc3c2)CC1.Cl
InChIInChI=1S/C19H26N2.ClH/c1-15(21-11-9-16(10-12-21)14-20-2)18-8-7-17-5-3-4-6-19(17)13-18;/h3-8,13,15-16,20H,9-12,14H2,1-2H3;1H
InChIKeySJVQRUYFUXUMLL-UHFFFAOYSA-N
MW318.89 g/mol
LogP4.25
Rot. Bonds4

About N-methyl-1-[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]methanamine;hydrochloride

N-methyl-1-[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]methanamine;hydrochloride (PubChem CID 119922301) has the molecular formula C19H27ClN2 and a molecular weight of 318.89 g/mol. Its IUPAC name is N-methyl-1-[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]methanamine;hydrochloride
PubChem CID119922301
Molecular FormulaC19H27ClN2
Molecular Weight318.89 g/mol
Exact Mass318.19
IUPAC NameN-methyl-1-[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]methanamine;hydrochloride
SMILESCNCC1CCN(C(C)c2ccc3ccccc3c2)CC1.Cl
InChIInChI=1S/C19H26N2.ClH/c1-15(21-11-9-16(10-12-21)14-20-2)18-8-7-17-5-3-4-6-19(17)13-18;/h3-8,13,15-16,20H,9-12,14H2,1-2H3;1H
InChIKeySJVQRUYFUXUMLL-UHFFFAOYSA-N
XLogP4.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.89
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]methyl]ethanamine
CID 119927809
1-(1-naphthalen-2-ylethyl)piperidin-4-amine;hydrochloride
CID 119907327
1-[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 63251056
1-[1-[1-(3,4-difluorophenyl)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 55175672
1-(1-naphthalen-2-ylethyl)piperidine-4-carboxylic acid
CID 65054272
N-[1-[(1S)-1-naphthalen-2-ylethyl]piperidin-4-yl]propane-1-sulfonamide
CID 95307376
N-methyl-1-[1-[1-(4-propylphenyl)ethyl]piperidin-4-yl]methanamine
CID 63250634
1-[(1R)-1-naphthalen-2-ylethyl]piperazine
CID 93464443
N-methyl-1-[1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119922236
N-cyclopropyl-1-[(1R)-1-naphthalen-2-ylethyl]piperidine-4-carboxamide
CID 94651891
[4-methyl-1-(1-naphthalen-2-ylethyl)piperidin-3-yl]methanamine
CID 114959925
N-[1-[(1R)-1-naphthalen-2-ylethyl]piperidin-4-yl]benzamide
CID 51966883

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]methanamine;hydrochloride?
The IUPAC name of N-methyl-1-[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]methanamine;hydrochloride (CID 119922301) is N-methyl-1-[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]methanamine;hydrochloride is CNCC1CCN(C(C)c2ccc3ccccc3c2)CC1.Cl.
What is the InChIKey of N-methyl-1-[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]methanamine;hydrochloride?
The InChIKey is SJVQRUYFUXUMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2.ClH/c1-15(21-11-9-16(10-12-21)14-20-2)18-8-7-17-5-3-4-6-19(17)13-18;/h3-8,13,15-16,20H,9-12,14H2,1-2H3;1H.
What are the key properties of N-methyl-1-[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]methanamine;hydrochloride?
N-methyl-1-[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]methanamine;hydrochloride has a molecular weight of 318.89 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 119922301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).