N-[[4-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methyl]propan-2-amine

C16H27N3O — CID 81247579

IUPACN-[[4-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methyl]propan-2-amine
SMILESCOCC1CCN(c2ccncc2CNC(C)C)CC1
InChIInChI=1S/C16H27N3O/c1-13(2)18-11-15-10-17-7-4-16(15)19-8-5-14(6-9-19)12-20-3/h4,7,10,13-14,18H,5-6,8-9,11-12H2,1-3H3
InChIKeyZDSDKIRTKBKBNH-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.44
Rot. Bonds6

About N-[[4-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methyl]propan-2-amine

N-[[4-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methyl]propan-2-amine (PubChem CID 81247579) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[4-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methyl]propan-2-amine
PubChem CID81247579
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[[4-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methyl]propan-2-amine
SMILESCOCC1CCN(c2ccncc2CNC(C)C)CC1
InChIInChI=1S/C16H27N3O/c1-13(2)18-11-15-10-17-7-4-16(15)19-8-5-14(6-9-19)12-20-3/h4,7,10,13-14,18H,5-6,8-9,11-12H2,1-3H3
InChIKeyZDSDKIRTKBKBNH-UHFFFAOYSA-N
XLogP2.44
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methyl]ethanamine
CID 81248341
[4-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanol
CID 81237725
N-[[4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 81246723
N-[[3-[3-(methoxymethyl)piperidin-1-yl]-4-pyridinyl]methyl]propan-2-amine
CID 106589227
N-[[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 81248359
3-chloro-4-[4-(methoxymethyl)piperidin-1-yl]pyridine
CID 71977831
N,N-diethyl-1-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]pyrrolidin-3-amine
CID 81253767
N-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]propan-2-amine
CID 81247460
N-[[4-(3-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 81247761
N-[[5-chloro-2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]propan-2-amine
CID 114851794
N-[[3-[3-(methoxymethyl)pyrrolidin-1-yl]-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105074060
N-[[4-(4-ethyl-3-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 81247566

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methyl]propan-2-amine (CID 81247579) is N-[[4-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methyl]propan-2-amine is COCC1CCN(c2ccncc2CNC(C)C)CC1.
What is the InChIKey of N-[[4-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is ZDSDKIRTKBKBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-13(2)18-11-15-10-17-7-4-16(15)19-8-5-14(6-9-19)12-20-3/h4,7,10,13-14,18H,5-6,8-9,11-12H2,1-3H3.
What are the key properties of N-[[4-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methyl]propan-2-amine?
N-[[4-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 277.41 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 81247579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).