[4-(aminomethyl)piperidin-1-yl]-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone

C19H30N4O — CID 119423563

IUPAC[4-(aminomethyl)piperidin-1-yl]-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
SMILESCN1CCN(Cc2cccc(C(=O)N3CCC(CN)CC3)c2)CC1
InChIInChI=1S/C19H30N4O/c1-21-9-11-22(12-10-21)15-17-3-2-4-18(13-17)19(24)23-7-5-16(14-20)6-8-23/h2-4,13,16H,5-12,14-15,20H2,1H3
InChIKeyYJFRDEPQYYXWEN-UHFFFAOYSA-N
MW330.48 g/mol
LogP1.24
Rot. Bonds4

About [4-(aminomethyl)piperidin-1-yl]-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone

[4-(aminomethyl)piperidin-1-yl]-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone (PubChem CID 119423563) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is [4-(aminomethyl)piperidin-1-yl]-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone.

Molecular Properties

Compound Name[4-(aminomethyl)piperidin-1-yl]-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
PubChem CID119423563
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name[4-(aminomethyl)piperidin-1-yl]-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
SMILESCN1CCN(Cc2cccc(C(=O)N3CCC(CN)CC3)c2)CC1
InChIInChI=1S/C19H30N4O/c1-21-9-11-22(12-10-21)15-17-3-2-4-18(13-17)19(24)23-7-5-16(14-20)6-8-23/h2-4,13,16H,5-12,14-15,20H2,1H3
InChIKeyYJFRDEPQYYXWEN-UHFFFAOYSA-N
XLogP1.24
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 10828160
[3-(aminomethyl)pyrrolidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 119486463
[3-(aminomethyl)pyrrolidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone;dihydrochloride
CID 119486462
(4-amino-3,3-dimethylpiperidin-1-yl)-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone;dihydrochloride
CID 120816373
[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperazin-1-ylmethanone;dihydrochloride
CID 119402312
[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 125147330
(3-hydroxypiperidin-1-yl)-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 111536594
(4-aminopiperidin-1-yl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone;dihydrochloride
CID 119376092
1,4-diazepan-1-yl-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 119416822
[4-(aminomethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 53489592
methyl 3-[4-(aminomethyl)piperidine-1-carbonyl]benzoate
CID 176515172
[4-(1-aminoethyl)piperidin-1-yl]-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]methanone
CID 119519782

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)piperidin-1-yl]-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone?
The IUPAC name of [4-(aminomethyl)piperidin-1-yl]-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone (CID 119423563) is [4-(aminomethyl)piperidin-1-yl]-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone.
What is the SMILES notation for [4-(aminomethyl)piperidin-1-yl]-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone?
The canonical SMILES for [4-(aminomethyl)piperidin-1-yl]-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone is CN1CCN(Cc2cccc(C(=O)N3CCC(CN)CC3)c2)CC1.
What is the InChIKey of [4-(aminomethyl)piperidin-1-yl]-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone?
The InChIKey is YJFRDEPQYYXWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-21-9-11-22(12-10-21)15-17-3-2-4-18(13-17)19(24)23-7-5-16(14-20)6-8-23/h2-4,13,16H,5-12,14-15,20H2,1H3.
What are the key properties of [4-(aminomethyl)piperidin-1-yl]-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone?
[4-(aminomethyl)piperidin-1-yl]-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone has a molecular weight of 330.48 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)piperidin-1-yl]-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone is sourced from PubChem (CID 119423563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).