4-[(4-pyrrolidin-1-ylphenyl)methylidene]piperidine;dihydrochloride

C16H24Cl2N2 — CID 19390865

IUPAC4-[(4-pyrrolidin-1-ylphenyl)methylidene]piperidine;dihydrochloride
SMILESC(=C1CCNCC1)c1ccc(N2CCCC2)cc1.Cl.Cl
InChIInChI=1S/C16H22N2.2ClH/c1-2-12-18(11-1)16-5-3-14(4-6-16)13-15-7-9-17-10-8-15;;/h3-6,13,17H,1-2,7-12H2;2*1H
InChIKeyLSBLCPZDNFEXCO-UHFFFAOYSA-N
MW315.29 g/mol
LogP3.90
Rot. Bonds2

About 4-[(4-pyrrolidin-1-ylphenyl)methylidene]piperidine;dihydrochloride

4-[(4-pyrrolidin-1-ylphenyl)methylidene]piperidine;dihydrochloride (PubChem CID 19390865) has the molecular formula C16H24Cl2N2 and a molecular weight of 315.29 g/mol. Its IUPAC name is 4-[(4-pyrrolidin-1-ylphenyl)methylidene]piperidine;dihydrochloride.

Molecular Properties

Compound Name4-[(4-pyrrolidin-1-ylphenyl)methylidene]piperidine;dihydrochloride
PubChem CID19390865
Molecular FormulaC16H24Cl2N2
Molecular Weight315.29 g/mol
Exact Mass314.13
IUPAC Name4-[(4-pyrrolidin-1-ylphenyl)methylidene]piperidine;dihydrochloride
SMILESC(=C1CCNCC1)c1ccc(N2CCCC2)cc1.Cl.Cl
InChIInChI=1S/C16H22N2.2ClH/c1-2-12-18(11-1)16-5-3-14(4-6-16)13-15-7-9-17-10-8-15;;/h3-6,13,17H,1-2,7-12H2;2*1H
InChIKeyLSBLCPZDNFEXCO-UHFFFAOYSA-N
XLogP3.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

1-[4-[2-(4-piperidin-1-ylphenyl)ethenyl]phenyl]piperidine
CID 56975979
4-[(4-bromophenyl)methylidene]azepane
CID 71276688
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
pyrrolidine;4-pyrrolidin-1-ylaniline
CID 70136555
(E)-3-(4-pyrrolidin-1-ylphenyl)prop-2-enoic acid
CID 18363088
5-[(4-piperidin-1-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 21212299
1-(4-ethenylphenyl)piperazine;methane
CID 159070972
4-[(4-methoxyphenyl)methylidene]piperidine
CID 20811455
(2R)-2-piperazin-1-yl-2-(4-pyrrolidin-1-ylphenyl)ethanol;hydrochloride
CID 171183683
1-[4-[(3R)-pyrrolidin-3-yl]phenyl]pyrrolidine
CID 96781240
2-[4-(piperidin-4-ylidenemethyl)phenyl]ethanol
CID 137361951
(5Z)-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1340301

Frequently Asked Questions

What is the IUPAC name of 4-[(4-pyrrolidin-1-ylphenyl)methylidene]piperidine;dihydrochloride?
The IUPAC name of 4-[(4-pyrrolidin-1-ylphenyl)methylidene]piperidine;dihydrochloride (CID 19390865) is 4-[(4-pyrrolidin-1-ylphenyl)methylidene]piperidine;dihydrochloride.
What is the SMILES notation for 4-[(4-pyrrolidin-1-ylphenyl)methylidene]piperidine;dihydrochloride?
The canonical SMILES for 4-[(4-pyrrolidin-1-ylphenyl)methylidene]piperidine;dihydrochloride is C(=C1CCNCC1)c1ccc(N2CCCC2)cc1.Cl.Cl.
What is the InChIKey of 4-[(4-pyrrolidin-1-ylphenyl)methylidene]piperidine;dihydrochloride?
The InChIKey is LSBLCPZDNFEXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2.2ClH/c1-2-12-18(11-1)16-5-3-14(4-6-16)13-15-7-9-17-10-8-15;;/h3-6,13,17H,1-2,7-12H2;2*1H.
What are the key properties of 4-[(4-pyrrolidin-1-ylphenyl)methylidene]piperidine;dihydrochloride?
4-[(4-pyrrolidin-1-ylphenyl)methylidene]piperidine;dihydrochloride has a molecular weight of 315.29 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-pyrrolidin-1-ylphenyl)methylidene]piperidine;dihydrochloride is sourced from PubChem (CID 19390865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).