1-[2-[(4-butan-2-ylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine

C17H29N3 — CID 62774841

IUPAC1-[2-[(4-butan-2-ylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine
SMILESCCC(C)N1CCN(Cc2ccccc2CNC)CC1
InChIInChI=1S/C17H29N3/c1-4-15(2)20-11-9-19(10-12-20)14-17-8-6-5-7-16(17)13-18-3/h5-8,15,18H,4,9-14H2,1-3H3
InChIKeyLOIQCRUULSPULW-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.32
Rot. Bonds6

About 1-[2-[(4-butan-2-ylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine

1-[2-[(4-butan-2-ylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine (PubChem CID 62774841) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-[2-[(4-butan-2-ylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(4-butan-2-ylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine
PubChem CID62774841
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name1-[2-[(4-butan-2-ylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine
SMILESCCC(C)N1CCN(Cc2ccccc2CNC)CC1
InChIInChI=1S/C17H29N3/c1-4-15(2)20-11-9-19(10-12-20)14-17-8-6-5-7-16(17)13-18-3/h5-8,15,18H,4,9-14H2,1-3H3
InChIKeyLOIQCRUULSPULW-UHFFFAOYSA-N
XLogP2.32
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-[(2R)-butan-2-yl]piperazine
CID 2248321
3-[(4-butan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine
CID 55116433
N-methyl-1-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanamine
CID 63004193
1-butan-2-yl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine;oxalic acid
CID 17369798
1-butan-2-yl-4-[(2-nitrophenyl)methyl]piperazine;oxalic acid
CID 2900173
2-(4-butan-2-ylpiperazin-1-yl)-N-methyl-1-phenylethanamine
CID 62773053
1-butan-2-yl-4-[(4-chlorophenyl)methyl]piperazine
CID 2878740
1-butan-2-yl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
CID 3150606
1-[(2R)-butan-2-yl]-4-[(1-methylpyrrol-2-yl)methyl]piperazine
CID 773054
1-[2-(3-azaspiro[5.5]undecan-3-ylmethyl)phenyl]-N-methylmethanamine
CID 62931505
N-[[6-[(4-butan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine
CID 106906436
2-[(4-butan-2-ylpiperazin-1-yl)methyl]-4-fluorobenzonitrile
CID 107902824

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-butan-2-ylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(4-butan-2-ylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine (CID 62774841) is 1-[2-[(4-butan-2-ylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(4-butan-2-ylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(4-butan-2-ylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine is CCC(C)N1CCN(Cc2ccccc2CNC)CC1.
What is the InChIKey of 1-[2-[(4-butan-2-ylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine?
The InChIKey is LOIQCRUULSPULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-4-15(2)20-11-9-19(10-12-20)14-17-8-6-5-7-16(17)13-18-3/h5-8,15,18H,4,9-14H2,1-3H3.
What are the key properties of 1-[2-[(4-butan-2-ylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine?
1-[2-[(4-butan-2-ylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine has a molecular weight of 275.44 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-butan-2-ylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 62774841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).