N-methyl-2-(piperidin-4-ylmethyl)prop-2-en-1-amine

C10H20N2 — CID 117266307

IUPACN-methyl-2-(piperidin-4-ylmethyl)prop-2-en-1-amine
SMILESC=C(CNC)CC1CCNCC1
InChIInChI=1S/C10H20N2/c1-9(8-11-2)7-10-3-5-12-6-4-10/h10-12H,1,3-8H2,2H3
InChIKeyTWQFWUBUHIDIJB-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.15
Rot. Bonds4

About N-methyl-2-(piperidin-4-ylmethyl)prop-2-en-1-amine

N-methyl-2-(piperidin-4-ylmethyl)prop-2-en-1-amine (PubChem CID 117266307) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N-methyl-2-(piperidin-4-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-2-(piperidin-4-ylmethyl)prop-2-en-1-amine
PubChem CID117266307
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN-methyl-2-(piperidin-4-ylmethyl)prop-2-en-1-amine
SMILESC=C(CNC)CC1CCNCC1
InChIInChI=1S/C10H20N2/c1-9(8-11-2)7-10-3-5-12-6-4-10/h10-12H,1,3-8H2,2H3
InChIKeyTWQFWUBUHIDIJB-UHFFFAOYSA-N
XLogP1.15
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-(piperidin-3-ylmethyl)prop-2-en-1-amine
CID 117266391
N-methyl-2-(thian-4-ylmethyl)prop-2-en-1-amine
CID 117266304
2-[(1-ethylpiperidin-3-yl)methyl]-N-methylprop-2-en-1-amine
CID 117266395
N-methyl-2-(piperidin-4-ylmethylamino)acetamide
CID 79708074
(1Z,3Z)-3-[2-(piperidin-4-ylmethyl)prop-2-enyl]hexa-1,3,5-trien-1-amine
CID 89331657
3-(pyrrolidin-3-ylmethyl)but-3-enal
CID 117268348
N-methyl-3-piperidin-4-ylbut-3-en-1-amine
CID 117268270
N-methylsulfanyl-2-piperidin-4-ylacetamide
CID 145013243
1-piperidin-4-ylbut-3-en-2-one
CID 116559893
2-(piperidin-4-ylmethylamino)acetic acid
CID 67168932
N-ethyl-N'-(piperidin-4-ylmethyl)ethane-1,2-diamine
CID 83962890
N-(chloromethyl)-1-piperidin-4-ylmethanamine
CID 134365297

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(piperidin-4-ylmethyl)prop-2-en-1-amine?
The IUPAC name of N-methyl-2-(piperidin-4-ylmethyl)prop-2-en-1-amine (CID 117266307) is N-methyl-2-(piperidin-4-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for N-methyl-2-(piperidin-4-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for N-methyl-2-(piperidin-4-ylmethyl)prop-2-en-1-amine is C=C(CNC)CC1CCNCC1.
What is the InChIKey of N-methyl-2-(piperidin-4-ylmethyl)prop-2-en-1-amine?
The InChIKey is TWQFWUBUHIDIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-9(8-11-2)7-10-3-5-12-6-4-10/h10-12H,1,3-8H2,2H3.
What are the key properties of N-methyl-2-(piperidin-4-ylmethyl)prop-2-en-1-amine?
N-methyl-2-(piperidin-4-ylmethyl)prop-2-en-1-amine has a molecular weight of 168.28 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(piperidin-4-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 117266307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).