4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine;dihydrochloride

C17H28Cl2N2 — CID 146064794

IUPAC4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine;dihydrochloride
SMILESCl.Cl.c1cc(CN2CCCC2)ccc1CC1CCNCC1
InChIInChI=1S/C17H26N2.2ClH/c1-2-12-19(11-1)14-17-5-3-15(4-6-17)13-16-7-9-18-10-8-16;;/h3-6,16,18H,1-2,7-14H2;2*1H
InChIKeyFEGVELZAUUCYQP-UHFFFAOYSA-N
MW331.33 g/mol
LogP3.67
Rot. Bonds4

About 4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine;dihydrochloride

4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine;dihydrochloride (PubChem CID 146064794) has the molecular formula C17H28Cl2N2 and a molecular weight of 331.33 g/mol. Its IUPAC name is 4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine;dihydrochloride.

Molecular Properties

Compound Name4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine;dihydrochloride
PubChem CID146064794
Molecular FormulaC17H28Cl2N2
Molecular Weight331.33 g/mol
Exact Mass330.16
IUPAC Name4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine;dihydrochloride
SMILESCl.Cl.c1cc(CN2CCCC2)ccc1CC1CCNCC1
InChIInChI=1S/C17H26N2.2ClH/c1-2-12-19(11-1)14-17-5-3-15(4-6-17)13-16-7-9-18-10-8-16;;/h3-6,16,18H,1-2,7-14H2;2*1H
InChIKeyFEGVELZAUUCYQP-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-piperidin-4-yl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]methanamine
CID 83962788
4-[(4-fluorophenyl)methyl]-1-(piperidin-4-ylmethyl)piperidine;hydrochloride
CID 119931258
11-[[4-(1,4,7,11-tetrazacyclotetradec-11-ylmethyl)phenyl]methyl]-1,4,7,11-tetrazacyclotetradecane;octahydrobromide
CID 142646286
1-methyl-4-[2-[4-(piperidin-4-ylmethyl)phenyl]ethyl]piperazine
CID 117485780
4-(piperidin-4-ylmethyl)phenol
CID 17039495
4-[[4-(fluoromethyl)phenyl]methyl]piperidine
CID 84675538
1-[(4-fluorophenyl)methyl]-4-piperidin-4-ylpiperidine;dihydrochloride
CID 167312057
4-[2-[4-(piperidin-4-ylmethyl)phenyl]ethyl]morpholine
CID 117466215
1-[[4-(1,4,7,10-tetrazacyclododec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
CID 12979841
4-[(4-iodophenyl)methyl]azepane
CID 83262135
4-[(4-pyrrolidin-3-ylphenyl)methyl]piperidine
CID 116988438
5-[[4-(1,5,8,13-tetrazabicyclo[11.2.2]heptadecan-5-ylmethyl)phenyl]methyl]-1,5,8,13-tetrazabicyclo[11.2.2]heptadecane
CID 158835050

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine;dihydrochloride?
The IUPAC name of 4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine;dihydrochloride (CID 146064794) is 4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine;dihydrochloride.
What is the SMILES notation for 4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine;dihydrochloride?
The canonical SMILES for 4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine;dihydrochloride is Cl.Cl.c1cc(CN2CCCC2)ccc1CC1CCNCC1.
What is the InChIKey of 4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine;dihydrochloride?
The InChIKey is FEGVELZAUUCYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2.2ClH/c1-2-12-19(11-1)14-17-5-3-15(4-6-17)13-16-7-9-18-10-8-16;;/h3-6,16,18H,1-2,7-14H2;2*1H.
What are the key properties of 4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine;dihydrochloride?
4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine;dihydrochloride has a molecular weight of 331.33 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine;dihydrochloride is sourced from PubChem (CID 146064794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).