4-benzyl-1-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine;hydrochloride

C24H32ClNO — CID 11451970

IUPAC4-benzyl-1-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine;hydrochloride
SMILESCOc1ccc2c(c1)CCC(CN1CCC(Cc3ccccc3)CC1)C2.Cl
InChIInChI=1S/C24H31NO.ClH/c1-26-24-10-9-22-16-21(7-8-23(22)17-24)18-25-13-11-20(12-14-25)15-19-5-3-2-4-6-19;/h2-6,9-10,17,20-21H,7-8,11-16,18H2,1H3;1H
InChIKeyMIOVVDWPNMBTNB-UHFFFAOYSA-N
MW385.98 g/mol
LogP5.18
Rot. Bonds5

About 4-benzyl-1-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine;hydrochloride

4-benzyl-1-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine;hydrochloride (PubChem CID 11451970) has the molecular formula C24H32ClNO and a molecular weight of 385.98 g/mol. Its IUPAC name is 4-benzyl-1-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-benzyl-1-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine;hydrochloride
PubChem CID11451970
Molecular FormulaC24H32ClNO
Molecular Weight385.98 g/mol
Exact Mass385.22
IUPAC Name4-benzyl-1-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine;hydrochloride
SMILESCOc1ccc2c(c1)CCC(CN1CCC(Cc3ccccc3)CC1)C2.Cl
InChIInChI=1S/C24H31NO.ClH/c1-26-24-10-9-22-16-21(7-8-23(22)17-24)18-25-13-11-20(12-14-25)15-19-5-3-2-4-6-19;/h2-6,9-10,17,20-21H,7-8,11-16,18H2,1H3;1H
InChIKeyMIOVVDWPNMBTNB-UHFFFAOYSA-N
XLogP5.18
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.98
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzyl-1-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine
CID 11440556
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CID 124560099
(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 15718592
8-benzyl-2-methoxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-imine
CID 145489426
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CID 23331334
4-benzyl-1-(cyclopentylmethyl)piperidine
CID 82089376
4-benzyl-1-(3,4-dihydro-2H-chromen-3-ylmethyl)piperidine;hydrochloride
CID 11152526
4-[[benzyl-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]amino]methyl]benzoic acid
CID 131678563
N-[2-(4-benzylpiperidin-1-yl)ethyl]-6-methoxynaphthalene-2-carboxamide
CID 122188780
1-(4-benzylpiperidin-1-yl)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol;hydrochloride
CID 16806975
1-(4-benzylpiperidin-1-yl)-3-(3-methoxyphenoxy)propan-2-ol chloride
CID 53313606
1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone
CID 127120206

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine;hydrochloride?
The IUPAC name of 4-benzyl-1-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine;hydrochloride (CID 11451970) is 4-benzyl-1-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine;hydrochloride.
What is the SMILES notation for 4-benzyl-1-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine;hydrochloride?
The canonical SMILES for 4-benzyl-1-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine;hydrochloride is COc1ccc2c(c1)CCC(CN1CCC(Cc3ccccc3)CC1)C2.Cl.
What is the InChIKey of 4-benzyl-1-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine;hydrochloride?
The InChIKey is MIOVVDWPNMBTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO.ClH/c1-26-24-10-9-22-16-21(7-8-23(22)17-24)18-25-13-11-20(12-14-25)15-19-5-3-2-4-6-19;/h2-6,9-10,17,20-21H,7-8,11-16,18H2,1H3;1H.
What are the key properties of 4-benzyl-1-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine;hydrochloride?
4-benzyl-1-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine;hydrochloride has a molecular weight of 385.98 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine;hydrochloride is sourced from PubChem (CID 11451970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).