N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutan-1-amine

C17H35N3 — CID 81045714

IUPACN-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutan-1-amine
SMILESCC(CCN(C)CC1CCN(C)CC1)C1CCCNC1
InChIInChI=1S/C17H35N3/c1-15(17-5-4-9-18-13-17)6-10-20(3)14-16-7-11-19(2)12-8-16/h15-18H,4-14H2,1-3H3
InChIKeyZTHIMNFITYNUIU-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.29
Rot. Bonds6

About N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutan-1-amine

N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutan-1-amine (PubChem CID 81045714) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutan-1-amine
PubChem CID81045714
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC NameN-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutan-1-amine
SMILESCC(CCN(C)CC1CCN(C)CC1)C1CCCNC1
InChIInChI=1S/C17H35N3/c1-15(17-5-4-9-18-13-17)6-10-20(3)14-16-7-11-19(2)12-8-16/h15-18H,4-14H2,1-3H3
InChIKeyZTHIMNFITYNUIU-UHFFFAOYSA-N
XLogP2.29
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxypropyl)-N-methyl-3-piperidin-3-ylbutan-1-amine
CID 81045951
1-(3-piperidin-3-ylbutyl)-4-propan-2-ylpiperidine
CID 103497377
4-[methyl(piperidin-3-ylmethyl)amino]butan-2-ol
CID 115741590
N,N-dimethyl-1-(3-piperidin-3-ylbutyl)piperidin-3-amine
CID 81045799
N-(1-methylpiperidin-3-yl)-3-piperidin-3-ylbutanamide
CID 81043754
3-(3-piperidin-3-ylbutyl)-1,2,4,5-tetrahydro-3-benzazepine
CID 81048505
3-(5-piperidin-4-ylhexan-2-yl)piperidine
CID 129299226
3-pentan-2-ylazepane
CID 107889859
1-(3-piperidin-3-ylbutyl)-4-propan-2-ylpiperazine
CID 81044402
N-[(2-bromophenyl)methyl]-N-methyl-3-piperidin-3-ylbutan-1-amine
CID 81044635
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylethanamine
CID 63236887
N-methyl-3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butan-1-amine
CID 81043974

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutan-1-amine?
The IUPAC name of N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutan-1-amine (CID 81045714) is N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutan-1-amine.
What is the SMILES notation for N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutan-1-amine?
The canonical SMILES for N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutan-1-amine is CC(CCN(C)CC1CCN(C)CC1)C1CCCNC1.
What is the InChIKey of N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutan-1-amine?
The InChIKey is ZTHIMNFITYNUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-15(17-5-4-9-18-13-17)6-10-20(3)14-16-7-11-19(2)12-8-16/h15-18H,4-14H2,1-3H3.
What are the key properties of N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutan-1-amine?
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutan-1-amine has a molecular weight of 281.49 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutan-1-amine is sourced from PubChem (CID 81045714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).