N-methyl-1-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]piperidin-4-amine

C14H26N2 — CID 142457550

IUPACN-methyl-1-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]piperidin-4-amine
SMILESC/C=C\C(=C/CC)CN1CCC(NC)CC1
InChIInChI=1S/C14H26N2/c1-4-6-13(7-5-2)12-16-10-8-14(15-3)9-11-16/h4,6-7,14-15H,5,8-12H2,1-3H3/b6-4-,13-7+
InChIKeyBUHKDSQLSFHXJQ-FMEHWCPISA-N
MW222.38 g/mol
LogP2.58
Rot. Bonds5

About N-methyl-1-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]piperidin-4-amine

N-methyl-1-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]piperidin-4-amine (PubChem CID 142457550) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N-methyl-1-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-1-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]piperidin-4-amine
PubChem CID142457550
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN-methyl-1-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]piperidin-4-amine
SMILESC/C=C\C(=C/CC)CN1CCC(NC)CC1
InChIInChI=1S/C14H26N2/c1-4-6-13(7-5-2)12-16-10-8-14(15-3)9-11-16/h4,6-7,14-15H,5,8-12H2,1-3H3/b6-4-,13-7+
InChIKeyBUHKDSQLSFHXJQ-FMEHWCPISA-N
XLogP2.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(R)-(E,E)-2-(1,3-pentadienyl)piperidine
CID 139585096
1-(1-Methyl-1,2,3,6-tetrahydropyridin-4-yl)ethan-1-amine
CID 71758631
1-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methyl]piperidine
CID 10656685
N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-1-methylpiperidin-4-amine
CID 70311004
N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1-methylpiperidin-4-amine
CID 70325320
4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]piperidin-4-amine
CID 88582935
3-ethyl-6-fluoro-N-(2-piperidin-1-ylethyl)hepta-3,5-dien-2-amine
CID 124007959
1-[(3E)-3-ethyl-2,2-difluorohexa-3,5-dienyl]piperidin-4-amine
CID 137467745
(3S,4R)-3-fluoro-N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]piperidin-4-amine
CID 137547838
(2S,5R)-1-[(2E,3Z)-2-ethylidene-5-fluorohexa-3,5-dienyl]-2,5-dimethylpiperazine
CID 142871687
N-[(Z,2E)-5-fluoro-2-propylidenehex-3-enyl]-1-methylpiperidin-4-amine
CID 143209317
2-[(2Z,4Z)-2-(1-fluoroethenyl)hexa-2,4-dienyl]piperazine
CID 143269798

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]piperidin-4-amine?
The IUPAC name of N-methyl-1-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]piperidin-4-amine (CID 142457550) is N-methyl-1-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]piperidin-4-amine.
What is the SMILES notation for N-methyl-1-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]piperidin-4-amine?
The canonical SMILES for N-methyl-1-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]piperidin-4-amine is C/C=C\C(=C/CC)CN1CCC(NC)CC1.
What is the InChIKey of N-methyl-1-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]piperidin-4-amine?
The InChIKey is BUHKDSQLSFHXJQ-FMEHWCPISA-N. The full InChI is InChI=1S/C14H26N2/c1-4-6-13(7-5-2)12-16-10-8-14(15-3)9-11-16/h4,6-7,14-15H,5,8-12H2,1-3H3/b6-4-,13-7+.
What are the key properties of N-methyl-1-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]piperidin-4-amine?
N-methyl-1-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]piperidin-4-amine has a molecular weight of 222.38 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]piperidin-4-amine is sourced from PubChem (CID 142457550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).