N-[(4-iodophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine

C16H25IN2 — CID 106631924

IUPACN-[(4-iodophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
SMILESCC(C)N(Cc1ccc(I)cc1)CC1CCCCN1
InChIInChI=1S/C16H25IN2/c1-13(2)19(12-16-5-3-4-10-18-16)11-14-6-8-15(17)9-7-14/h6-9,13,16,18H,3-5,10-12H2,1-2H3
InChIKeyRNYRPWOJJDZVCF-UHFFFAOYSA-N
MW372.29 g/mol
LogP3.64
Rot. Bonds5

About N-[(4-iodophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine

N-[(4-iodophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine (PubChem CID 106631924) has the molecular formula C16H25IN2 and a molecular weight of 372.29 g/mol. Its IUPAC name is N-[(4-iodophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-[(4-iodophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
PubChem CID106631924
Molecular FormulaC16H25IN2
Molecular Weight372.29 g/mol
Exact Mass372.11
IUPAC NameN-[(4-iodophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
SMILESCC(C)N(Cc1ccc(I)cc1)CC1CCCCN1
InChIInChI=1S/C16H25IN2/c1-13(2)19(12-16-5-3-4-10-18-16)11-14-6-8-15(17)9-7-14/h6-9,13,16,18H,3-5,10-12H2,1-2H3
InChIKeyRNYRPWOJJDZVCF-UHFFFAOYSA-N
XLogP3.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.29
LogP ≤ 53.64
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-(2,3-dihydro-1H-inden-5-ylmethyl)-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106631918
N-[[4-(methoxymethyl)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603195
N-[(4-iodophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106617091
N-[(4-propan-2-yloxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603065
3-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 106622282
N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622184
N-[(5-bromo-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622205
3-fluoro-5-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 106622268
N-methyl-1-piperidin-2-yl-N-[(4-propan-2-ylphenyl)methyl]methanamine
CID 106623045
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]propan-2-amine;molecular hydrogen
CID 164555849
N-[(4-methyl-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106621945
N-[[3-(methoxymethyl)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603247

Frequently Asked Questions

What is the IUPAC name of N-[(4-iodophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine?
The IUPAC name of N-[(4-iodophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine (CID 106631924) is N-[(4-iodophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine.
What is the SMILES notation for N-[(4-iodophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine?
The canonical SMILES for N-[(4-iodophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine is CC(C)N(Cc1ccc(I)cc1)CC1CCCCN1.
What is the InChIKey of N-[(4-iodophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine?
The InChIKey is RNYRPWOJJDZVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25IN2/c1-13(2)19(12-16-5-3-4-10-18-16)11-14-6-8-15(17)9-7-14/h6-9,13,16,18H,3-5,10-12H2,1-2H3.
What are the key properties of N-[(4-iodophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine?
N-[(4-iodophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine has a molecular weight of 372.29 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-iodophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 106631924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).