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

C19H38N4 — CID 82565117

IUPACN-methyl-N-(1-methylpiperidin-4-yl)-4-[(4-methylpiperidin-1-yl)methyl]piperidin-3-amine
SMILESCC1CCN(CC2CCNCC2N(C)C2CCN(C)CC2)CC1
InChIInChI=1S/C19H38N4/c1-16-5-12-23(13-6-16)15-17-4-9-20-14-19(17)22(3)18-7-10-21(2)11-8-18/h16-20H,4-15H2,1-3H3
InChIKeyODUQPOKFUFYWMY-UHFFFAOYSA-N
MW322.54 g/mol
LogP1.72
Rot. Bonds4

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

N-methyl-N-(1-methylpiperidin-4-yl)-4-[(4-methylpiperidin-1-yl)methyl]piperidin-3-amine (PubChem CID 82565117) has the molecular formula C19H38N4 and a molecular weight of 322.54 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-4-yl)-4-[(4-methylpiperidin-1-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-4-yl)-4-[(4-methylpiperidin-1-yl)methyl]piperidin-3-amine
PubChem CID82565117
Molecular FormulaC19H38N4
Molecular Weight322.54 g/mol
Exact Mass322.31
IUPAC NameN-methyl-N-(1-methylpiperidin-4-yl)-4-[(4-methylpiperidin-1-yl)methyl]piperidin-3-amine
SMILESCC1CCN(CC2CCNCC2N(C)C2CCN(C)CC2)CC1
InChIInChI=1S/C19H38N4/c1-16-5-12-23(13-6-16)15-17-4-9-20-14-19(17)22(3)18-7-10-21(2)11-8-18/h16-20H,4-15H2,1-3H3
InChIKeyODUQPOKFUFYWMY-UHFFFAOYSA-N
XLogP1.72
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.54
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-4-[(4-methylpiperidin-1-yl)methyl]piperidin-3-amine?
The IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-4-[(4-methylpiperidin-1-yl)methyl]piperidin-3-amine (CID 82565117) is N-methyl-N-(1-methylpiperidin-4-yl)-4-[(4-methylpiperidin-1-yl)methyl]piperidin-3-amine.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-4-yl)-4-[(4-methylpiperidin-1-yl)methyl]piperidin-3-amine?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-4-yl)-4-[(4-methylpiperidin-1-yl)methyl]piperidin-3-amine is CC1CCN(CC2CCNCC2N(C)C2CCN(C)CC2)CC1.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-4-yl)-4-[(4-methylpiperidin-1-yl)methyl]piperidin-3-amine?
The InChIKey is ODUQPOKFUFYWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N4/c1-16-5-12-23(13-6-16)15-17-4-9-20-14-19(17)22(3)18-7-10-21(2)11-8-18/h16-20H,4-15H2,1-3H3.
What are the key properties of N-methyl-N-(1-methylpiperidin-4-yl)-4-[(4-methylpiperidin-1-yl)methyl]piperidin-3-amine?
N-methyl-N-(1-methylpiperidin-4-yl)-4-[(4-methylpiperidin-1-yl)methyl]piperidin-3-amine has a molecular weight of 322.54 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpiperidin-4-yl)-4-[(4-methylpiperidin-1-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 82565117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).