1-[1-[(4-iodophenyl)methyl]piperidin-3-yl]-N-methylmethanamine

C14H21IN2 — CID 65479043

IUPAC1-[1-[(4-iodophenyl)methyl]piperidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCCN(Cc2ccc(I)cc2)C1
InChIInChI=1S/C14H21IN2/c1-16-9-13-3-2-8-17(11-13)10-12-4-6-14(15)7-5-12/h4-7,13,16H,2-3,8-11H2,1H3
InChIKeyDYACCYKOFXJAMS-UHFFFAOYSA-N
MW344.24 g/mol
LogP2.72
Rot. Bonds4

About 1-[1-[(4-iodophenyl)methyl]piperidin-3-yl]-N-methylmethanamine

1-[1-[(4-iodophenyl)methyl]piperidin-3-yl]-N-methylmethanamine (PubChem CID 65479043) has the molecular formula C14H21IN2 and a molecular weight of 344.24 g/mol. Its IUPAC name is 1-[1-[(4-iodophenyl)methyl]piperidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(4-iodophenyl)methyl]piperidin-3-yl]-N-methylmethanamine
PubChem CID65479043
Molecular FormulaC14H21IN2
Molecular Weight344.24 g/mol
Exact Mass344.07
IUPAC Name1-[1-[(4-iodophenyl)methyl]piperidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCCN(Cc2ccc(I)cc2)C1
InChIInChI=1S/C14H21IN2/c1-16-9-13-3-2-8-17(11-13)10-12-4-6-14(15)7-5-12/h4-7,13,16H,2-3,8-11H2,1H3
InChIKeyDYACCYKOFXJAMS-UHFFFAOYSA-N
XLogP2.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[(4-iodophenyl)methyl]piperidin-3-yl]methyl]-2-methoxyethanamine
CID 65479448
1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
CID 4660832
1-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)piperidin-3-yl]-N-methylmethanamine
CID 61204325
2-[4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenoxy]acetamide
CID 61206346
1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 42254398
1-[(4-iodophenyl)methyl]-3-methoxypiperidine
CID 103713929
methyl 5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]furan-2-carboxylate
CID 61204990
N-methyl-1-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]methanamine
CID 62513794
1-[1-[(2,3-dichloro-4-fluorophenyl)methyl]piperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 120835764
1-[1-[(4-iodophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 119925517
1-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-3-yl]-N-methylmethanamine;dihydrochloride
CID 119914421
N-[[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-3-yl]methyl]-2-methylpropanamide
CID 110008877

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-iodophenyl)methyl]piperidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(4-iodophenyl)methyl]piperidin-3-yl]-N-methylmethanamine (CID 65479043) is 1-[1-[(4-iodophenyl)methyl]piperidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(4-iodophenyl)methyl]piperidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(4-iodophenyl)methyl]piperidin-3-yl]-N-methylmethanamine is CNCC1CCCN(Cc2ccc(I)cc2)C1.
What is the InChIKey of 1-[1-[(4-iodophenyl)methyl]piperidin-3-yl]-N-methylmethanamine?
The InChIKey is DYACCYKOFXJAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21IN2/c1-16-9-13-3-2-8-17(11-13)10-12-4-6-14(15)7-5-12/h4-7,13,16H,2-3,8-11H2,1H3.
What are the key properties of 1-[1-[(4-iodophenyl)methyl]piperidin-3-yl]-N-methylmethanamine?
1-[1-[(4-iodophenyl)methyl]piperidin-3-yl]-N-methylmethanamine has a molecular weight of 344.24 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-iodophenyl)methyl]piperidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 65479043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).