(R)-(4-methylnaphthalen-1-yl)-piperidin-4-ylmethanamine

C17H22N2 — CID 171314485

IUPAC(R)-(4-methylnaphthalen-1-yl)-piperidin-4-ylmethanamine
SMILESCc1ccc([C@H](N)C2CCNCC2)c2ccccc12
InChIInChI=1S/C17H22N2/c1-12-6-7-16(15-5-3-2-4-14(12)15)17(18)13-8-10-19-11-9-13/h2-7,13,17,19H,8-11,18H2,1H3/t17-/m1/s1
InChIKeyQISUBFGVEILBMW-QGZVFWFLSA-N
MW254.38 g/mol
LogP3.15
Rot. Bonds2

About (R)-(4-methylnaphthalen-1-yl)-piperidin-4-ylmethanamine

(R)-(4-methylnaphthalen-1-yl)-piperidin-4-ylmethanamine (PubChem CID 171314485) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is (R)-(4-methylnaphthalen-1-yl)-piperidin-4-ylmethanamine.

Molecular Properties

Compound Name(R)-(4-methylnaphthalen-1-yl)-piperidin-4-ylmethanamine
PubChem CID171314485
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name(R)-(4-methylnaphthalen-1-yl)-piperidin-4-ylmethanamine
SMILESCc1ccc([C@H](N)C2CCNCC2)c2ccccc12
InChIInChI=1S/C17H22N2/c1-12-6-7-16(15-5-3-2-4-14(12)15)17(18)13-8-10-19-11-9-13/h2-7,13,17,19H,8-11,18H2,1H3/t17-/m1/s1
InChIKeyQISUBFGVEILBMW-QGZVFWFLSA-N
XLogP3.15
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (R)-(4-methylnaphthalen-1-yl)-piperidin-4-ylmethanamine?
The IUPAC name of (R)-(4-methylnaphthalen-1-yl)-piperidin-4-ylmethanamine (CID 171314485) is (R)-(4-methylnaphthalen-1-yl)-piperidin-4-ylmethanamine.
What is the SMILES notation for (R)-(4-methylnaphthalen-1-yl)-piperidin-4-ylmethanamine?
The canonical SMILES for (R)-(4-methylnaphthalen-1-yl)-piperidin-4-ylmethanamine is Cc1ccc([C@H](N)C2CCNCC2)c2ccccc12.
What is the InChIKey of (R)-(4-methylnaphthalen-1-yl)-piperidin-4-ylmethanamine?
The InChIKey is QISUBFGVEILBMW-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H22N2/c1-12-6-7-16(15-5-3-2-4-14(12)15)17(18)13-8-10-19-11-9-13/h2-7,13,17,19H,8-11,18H2,1H3/t17-/m1/s1.
What are the key properties of (R)-(4-methylnaphthalen-1-yl)-piperidin-4-ylmethanamine?
(R)-(4-methylnaphthalen-1-yl)-piperidin-4-ylmethanamine has a molecular weight of 254.38 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(4-methylnaphthalen-1-yl)-piperidin-4-ylmethanamine is sourced from PubChem (CID 171314485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).