N-methyl-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]prop-1-en-2-amine

C15H29N3 — CID 142390241

IUPACN-methyl-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]prop-1-en-2-amine
SMILESC=C(CN1CCC(N2CCC(C)CC2)CC1)NC
InChIInChI=1S/C15H29N3/c1-13-4-10-18(11-5-13)15-6-8-17(9-7-15)12-14(2)16-3/h13,15-16H,2,4-12H2,1,3H3
InChIKeyJAVQDIIIGWDTPP-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.92
Rot. Bonds4

About N-methyl-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]prop-1-en-2-amine

N-methyl-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]prop-1-en-2-amine (PubChem CID 142390241) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is N-methyl-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]prop-1-en-2-amine.

Molecular Properties

Compound NameN-methyl-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]prop-1-en-2-amine
PubChem CID142390241
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC NameN-methyl-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]prop-1-en-2-amine
SMILESC=C(CN1CCC(N2CCC(C)CC2)CC1)NC
InChIInChI=1S/C15H29N3/c1-13-4-10-18(11-5-13)15-6-8-17(9-7-15)12-14(2)16-3/h13,15-16H,2,4-12H2,1,3H3
InChIKeyJAVQDIIIGWDTPP-UHFFFAOYSA-N
XLogP1.92
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]prop-1-en-2-amine?
The IUPAC name of N-methyl-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]prop-1-en-2-amine (CID 142390241) is N-methyl-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]prop-1-en-2-amine.
What is the SMILES notation for N-methyl-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]prop-1-en-2-amine?
The canonical SMILES for N-methyl-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]prop-1-en-2-amine is C=C(CN1CCC(N2CCC(C)CC2)CC1)NC.
What is the InChIKey of N-methyl-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]prop-1-en-2-amine?
The InChIKey is JAVQDIIIGWDTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-13-4-10-18(11-5-13)15-6-8-17(9-7-15)12-14(2)16-3/h13,15-16H,2,4-12H2,1,3H3.
What are the key properties of N-methyl-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]prop-1-en-2-amine?
N-methyl-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]prop-1-en-2-amine has a molecular weight of 251.42 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]prop-1-en-2-amine is sourced from PubChem (CID 142390241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).