1-[(4-piperidin-4-ylnaphthalen-1-yl)methyl]piperidine;dihydrochloride

C21H30Cl2N2 — CID 130367096

IUPAC1-[(4-piperidin-4-ylnaphthalen-1-yl)methyl]piperidine;dihydrochloride
SMILESCl.Cl.c1ccc2c(C3CCNCC3)ccc(CN3CCCCC3)c2c1
InChIInChI=1S/C21H28N2.2ClH/c1-4-14-23(15-5-1)16-18-8-9-20(17-10-12-22-13-11-17)21-7-3-2-6-19(18)21;;/h2-3,6-9,17,22H,1,4-5,10-16H2;2*1H
InChIKeyXWMOZFDGKFZREF-UHFFFAOYSA-N
MW381.39 g/mol
LogP5.14
Rot. Bonds3

About 1-[(4-piperidin-4-ylnaphthalen-1-yl)methyl]piperidine;dihydrochloride

1-[(4-piperidin-4-ylnaphthalen-1-yl)methyl]piperidine;dihydrochloride (PubChem CID 130367096) has the molecular formula C21H30Cl2N2 and a molecular weight of 381.39 g/mol. Its IUPAC name is 1-[(4-piperidin-4-ylnaphthalen-1-yl)methyl]piperidine;dihydrochloride.

Molecular Properties

Compound Name1-[(4-piperidin-4-ylnaphthalen-1-yl)methyl]piperidine;dihydrochloride
PubChem CID130367096
Molecular FormulaC21H30Cl2N2
Molecular Weight381.39 g/mol
Exact Mass380.18
IUPAC Name1-[(4-piperidin-4-ylnaphthalen-1-yl)methyl]piperidine;dihydrochloride
SMILESCl.Cl.c1ccc2c(C3CCNCC3)ccc(CN3CCCCC3)c2c1
InChIInChI=1S/C21H28N2.2ClH/c1-4-14-23(15-5-1)16-18-8-9-20(17-10-12-22-13-11-17)21-7-3-2-6-19(18)21;;/h2-3,6-9,17,22H,1,4-5,10-16H2;2*1H
InChIKeyXWMOZFDGKFZREF-UHFFFAOYSA-N
XLogP5.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.39
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-Naphthylmethyl)piperazine
CID 701891
9,10-Anthracenedimethanamine, N,N'-bis(2-(dimethylamino)ethyl)-
CID 60242
1-(2-(Naphthalen-2-yl)ethyl)piperazine
CID 44592243
N-(1-naphthylmethyl)-N-(2-naphthylmethyl)amine
CID 2817655
1-Methyl-4-(naphthalen-2-ylmethyl)piperazine
CID 765796
1-(2-Naphthylmethyl)-4-benzylpiperazine
CID 1376821
Piperidine, 1-(2-naphthalenylmethyl)-
CID 204543
9-(N-benzylaminomethyl)-9,10-dihydroanthracene
CID 44373281
1-(2-(Naphthalen-2-yl)-1-phenylethyl)piperazine
CID 44414860
1-(2-(Naphthalen-1-yl)-1-phenylethyl)piperazine
CID 44414861
1-(2-(6-Fluoronaphthalen-2-yl)ethyl)piperazine
CID 44592244
1-[(3-Methylnaphthalen-2-yl)methyl]piperidine
CID 1859634

Frequently Asked Questions

What is the IUPAC name of 1-[(4-piperidin-4-ylnaphthalen-1-yl)methyl]piperidine;dihydrochloride?
The IUPAC name of 1-[(4-piperidin-4-ylnaphthalen-1-yl)methyl]piperidine;dihydrochloride (CID 130367096) is 1-[(4-piperidin-4-ylnaphthalen-1-yl)methyl]piperidine;dihydrochloride.
What is the SMILES notation for 1-[(4-piperidin-4-ylnaphthalen-1-yl)methyl]piperidine;dihydrochloride?
The canonical SMILES for 1-[(4-piperidin-4-ylnaphthalen-1-yl)methyl]piperidine;dihydrochloride is Cl.Cl.c1ccc2c(C3CCNCC3)ccc(CN3CCCCC3)c2c1.
What is the InChIKey of 1-[(4-piperidin-4-ylnaphthalen-1-yl)methyl]piperidine;dihydrochloride?
The InChIKey is XWMOZFDGKFZREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2.2ClH/c1-4-14-23(15-5-1)16-18-8-9-20(17-10-12-22-13-11-17)21-7-3-2-6-19(18)21;;/h2-3,6-9,17,22H,1,4-5,10-16H2;2*1H.
What are the key properties of 1-[(4-piperidin-4-ylnaphthalen-1-yl)methyl]piperidine;dihydrochloride?
1-[(4-piperidin-4-ylnaphthalen-1-yl)methyl]piperidine;dihydrochloride has a molecular weight of 381.39 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-piperidin-4-ylnaphthalen-1-yl)methyl]piperidine;dihydrochloride is sourced from PubChem (CID 130367096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).